2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)

C234H453N17 — CID 164950382

IUPAC2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)
SMILESCC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CCC2CCCN(C(C)(C)C)CN2C1.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C17H34N2.2C16H30.3C15H29N.2C15H28.2C14H28N2.4C14H27N.2C13H26N2/c1-16(2,3)14-9-10-15-8-7-11-19(17(4,5)6)13-18(15)12-14;2*1-15(2,3)13-9-11-7-8-12(10-13)14(11)16(4,5)6;2*1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-14(2,3)13-11-7-8-12(13)10-16(9-11)15(4,5)6;2*1-14(2,3)12-8-10-7-11(9-12)13(10)15(4,5)6;2*1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;2*1-13(2,3)12-10-7-11(12)9-15(8-10)14(4,5)6;2*1-13(2,3)10-7-11-9-12(8-10)15(11)14(4,5)6;2*1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6/h14-15H,7-13H2,1-6H3;2*11-14H,7-10H2,1-6H3;3*11-13H,7-10H2,1-6H3;2*10-13H,7-9H2,1-6H3;2*11-12H,7-10H2,1-6H3;4*10-12H,7-9H2,1-6H3;2*10-11H,7-9H2,1-6H3
InChIKeyALGHETQKJYDZBV-UHFFFAOYSA-N
MW3505.32 g/mol
LogP59.96
Rot. Bonds

About 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)

2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) (PubChem CID 164950382) has the molecular formula C234H453N17 and a molecular weight of 3505.32 g/mol. Its IUPAC name is 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane).

Molecular Properties

Compound Name2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)
PubChem CID164950382
Molecular FormulaC234H453N17
Molecular Weight3505.32 g/mol
Exact Mass3502.60
IUPAC Name2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)
SMILESCC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CCC2CCCN(C(C)(C)C)CN2C1.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C17H34N2.2C16H30.3C15H29N.2C15H28.2C14H28N2.4C14H27N.2C13H26N2/c1-16(2,3)14-9-10-15-8-7-11-19(17(4,5)6)13-18(15)12-14;2*1-15(2,3)13-9-11-7-8-12(10-13)14(11)16(4,5)6;2*1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-14(2,3)13-11-7-8-12(13)10-16(9-11)15(4,5)6;2*1-14(2,3)12-8-10-7-11(9-12)13(10)15(4,5)6;2*1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;2*1-13(2,3)12-10-7-11(12)9-15(8-10)14(4,5)6;2*1-13(2,3)10-7-11-9-12(8-10)15(11)14(4,5)6;2*1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6/h14-15H,7-13H2,1-6H3;2*11-14H,7-10H2,1-6H3;3*11-13H,7-10H2,1-6H3;2*10-13H,7-9H2,1-6H3;2*11-12H,7-10H2,1-6H3;4*10-12H,7-9H2,1-6H3;2*10-11H,7-9H2,1-6H3
InChIKeyALGHETQKJYDZBV-UHFFFAOYSA-N
XLogP59.96
TPSA55.08 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003505.32
LogP ≤ 559.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) with MolForge

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Launch Full Analysis

Related Compounds

(1S,4S,5S)-2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(1R,4R,5S)-2,5-dimethyl-2-azabicyclo[2.2.1]heptane;bis((1S,5R)-3,6-dimethyl-3-azabicyclo[3.1.1]heptane);bis((1R,5S)-3,6-dimethyl-6-azabicyclo[3.1.1]heptane);(1S,4R,5S)-2,5-dimethyl-2-azabicyclo[2.2.2]octane;(1R,4S,5S)-2,5-dimethyl-2-azabicyclo[2.2.2]octane;bis((1R,5S)-3,8-dimethyl-3-azabicyclo[3.2.1]octane);bis((1S,5R)-3,8-dimethyl-8-azabicyclo[3.2.1]octane);bis((1R,5S)-3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);bis((1S,5R)-3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane)
CID 160413830
CID 161234086
CID 161234086
Bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane
CID 164967427
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane
CID 164977365
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)
CID 164981837
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)
CID 164986671
Bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azaspiro[4.5]decane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;bis(2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane);2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,3-ditert-butylimidazolidine
CID 165001472
3,6-Ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;2,5-ditert-butyl-2-azabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);3,6-ditert-butylbicyclo[3.1.1]heptane;bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)
CID 165022110
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);tris(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3-azabicyclo[3.2.1]octane);bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)
CID 165070384
2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane;3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane;3,6-ditert-butylbicyclo[3.1.1]heptane;3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane
CID 165099987

Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)?
The IUPAC name of 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) (CID 164950382) is 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane).
What is the SMILES notation for 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)?
The canonical SMILES for 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) is CC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)C1CCC2CCCN(C(C)(C)C)CN2C1.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.
What is the InChIKey of 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)?
The InChIKey is ALGHETQKJYDZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.2C16H30.3C15H29N.2C15H28.2C14H28N2.4C14H27N.2C13H26N2/c1-16(2,3)14-9-10-15-8-7-11-19(17(4,5)6)13-18(15)12-14;2*1-15(2,3)13-9-11-7-8-12(10-13)14(11)16(4,5)6;2*1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-14(2,3)13-11-7-8-12(13)10-16(9-11)15(4,5)6;2*1-14(2,3)12-8-10-7-11(9-12)13(10)15(4,5)6;2*1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;2*1-13(2,3)12-10-7-11(12)9-15(8-10)14(4,5)6;2*1-13(2,3)10-7-11-9-12(8-10)15(11)14(4,5)6;2*1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6/h14-15H,7-13H2,1-6H3;2*11-14H,7-10H2,1-6H3;3*11-13H,7-10H2,1-6H3;2*10-13H,7-9H2,1-6H3;2*11-12H,7-10H2,1-6H3;4*10-12H,7-9H2,1-6H3;2*10-11H,7-9H2,1-6H3.
What are the key properties of 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane)?
2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) has a molecular weight of 3505.32 g/mol, XLogP of 59.96, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;bis(3,8-ditert-butyl-8-azabicyclo[3.2.1]octane);bis(3,6-ditert-butylbicyclo[3.1.1]heptane);bis(3,8-ditert-butylbicyclo[3.2.1]octane);bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane) is sourced from PubChem (CID 164950382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).