2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane

C65H123N9 — CID 160611996

IUPAC2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1C2CC1C2.CC(C)N1C2CCC1C2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC1C2.CC(C)N1CC2CC2C1.CC(C)N1CCC2CC1C2.CC(C)N1CCC2CC21.CC(C)N1CNC2CC1C2
InChIInChI=1S/2C9H17N.C8H16N2.4C8H15N.C7H13N/c1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-4-3-8-5-9(10)6-8;1-6(2)10-5-9-7-3-8(10)4-7;1-6(2)9-4-7-3-8(7)5-9;1-6(2)9-5-7-3-8(9)4-7;1-6(2)9-4-3-7-5-8(7)9;1-6(2)9-7-3-4-8(9)5-7;1-5(2)8-6-3-7(8)4-6/h2*7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;4*6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3
InChIKeyRFPMOEMBBPBQTA-UHFFFAOYSA-N
MW1030.76 g/mol
LogP11.60
Rot. Bonds8

About 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane

2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane (PubChem CID 160611996) has the molecular formula C65H123N9 and a molecular weight of 1030.76 g/mol. Its IUPAC name is 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane
PubChem CID160611996
Molecular FormulaC65H123N9
Molecular Weight1030.76 g/mol
Exact Mass1029.99
IUPAC Name2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1C2CC1C2.CC(C)N1C2CCC1C2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC1C2.CC(C)N1CC2CC2C1.CC(C)N1CCC2CC1C2.CC(C)N1CCC2CC21.CC(C)N1CNC2CC1C2
InChIInChI=1S/2C9H17N.C8H16N2.4C8H15N.C7H13N/c1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-4-3-8-5-9(10)6-8;1-6(2)10-5-9-7-3-8(10)4-7;1-6(2)9-4-7-3-8(7)5-9;1-6(2)9-5-7-3-8(9)4-7;1-6(2)9-4-3-7-5-8(7)9;1-6(2)9-7-3-4-8(9)5-7;1-5(2)8-6-3-7(8)4-6/h2*7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;4*6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3
InChIKeyRFPMOEMBBPBQTA-UHFFFAOYSA-N
XLogP11.60
TPSA37.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.76
LogP ≤ 511.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane with MolForge

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Related Compounds

2-Tert-butyl-2-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane;3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-ethyl-2-azabicyclo[3.1.0]hexane;3-tert-butyl-2-ethyl-3-azabicyclo[3.1.0]hexane;7-tert-butyl-8-ethyl-7-azaspiro[3.5]nonane;6-tert-butyl-7-ethyl-6-azaspiro[2.5]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-methyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane
CID 157401854
3-Tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane;3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-2-ethyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-methyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane
CID 157561814
3-Tert-butyl-3-azabicyclo[3.1.0]hexane;methane;2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane
CID 158634623
1-Azabicyclo[2.2.1]heptane;bis(5-azabicyclo[2.1.1]hexane);1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;1,3-diazabicyclo[2.2.1]heptane;methane
CID 159548922

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane?
The IUPAC name of 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane (CID 160611996) is 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane is CC(C)N1C2CC1C2.CC(C)N1C2CCC1C2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CC1C2.CC(C)N1CC2CC2C1.CC(C)N1CCC2CC1C2.CC(C)N1CCC2CC21.CC(C)N1CNC2CC1C2.
What is the InChIKey of 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane?
The InChIKey is RFPMOEMBBPBQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17N.C8H16N2.4C8H15N.C7H13N/c1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-4-3-8-5-9(10)6-8;1-6(2)10-5-9-7-3-8(10)4-7;1-6(2)9-4-7-3-8(7)5-9;1-6(2)9-5-7-3-8(9)4-7;1-6(2)9-4-3-7-5-8(7)9;1-6(2)9-7-3-4-8(9)5-7;1-5(2)8-6-3-7(8)4-6/h2*7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;4*6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane?
2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane has a molecular weight of 1030.76 g/mol, XLogP of 11.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;2-propan-2-yl-2-azabicyclo[1.1.1]pentane;2-propan-2-yl-2,4-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 160611996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).