6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane

C71H139N11 — CID 159784552

IUPAC6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)N1C2CCC1CNC2.CC(C)(C)N1C2CCCC1C2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1C2CCNC1CC2.CC(C)(C)N1C2CNCC1C2.CC(C)(C)N1CC2CCC(C1)N2.CC(C)(C)N1CC2CCC(C2)C1
InChIInChI=1S/2C11H21N.3C10H20N2.C10H19N.C9H18N2/c1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)12-6-8-4-5-9(7-12)11-8;1-10(2,3)12-8-4-5-9(12)7-11-6-8;1-10(2,3)12-8-4-5-9(12)11-7-6-8;1-10(2,3)11-8-5-4-6-9(11)7-8;1-9(2,3)11-7-4-8(11)6-10-5-7/h2*9-10H,4-8H2,1-3H3;3*8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3
InChIKeyNHUCKSRATVULJJ-UHFFFAOYSA-N
MW1146.97 g/mol
LogP12.57
Rot. Bonds

About 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane

6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 159784552) has the molecular formula C71H139N11 and a molecular weight of 1146.97 g/mol. Its IUPAC name is 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID159784552
Molecular FormulaC71H139N11
Molecular Weight1146.97 g/mol
Exact Mass1146.12
IUPAC Name6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)N1C2CCC1CNC2.CC(C)(C)N1C2CCCC1C2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1C2CCNC1CC2.CC(C)(C)N1C2CNCC1C2.CC(C)(C)N1CC2CCC(C1)N2.CC(C)(C)N1CC2CCC(C2)C1
InChIInChI=1S/2C11H21N.3C10H20N2.C10H19N.C9H18N2/c1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)12-6-8-4-5-9(7-12)11-8;1-10(2,3)12-8-4-5-9(12)7-11-6-8;1-10(2,3)12-8-4-5-9(12)11-7-6-8;1-10(2,3)11-8-5-4-6-9(11)7-8;1-9(2,3)11-7-4-8(11)6-10-5-7/h2*9-10H,4-8H2,1-3H3;3*8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3
InChIKeyNHUCKSRATVULJJ-UHFFFAOYSA-N
XLogP12.57
TPSA70.80 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001146.97
LogP ≤ 512.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

N-(azepan-4-ylmethyl)-N-methylpropan-2-amine;N-(azepan-4-ylmethyl)propan-2-amine;bis(N-(azetidin-3-ylmethyl)propan-2-amine);N-ethyl-N-propan-2-ylazepan-4-amine;N-ethyl-N-propan-2-ylazetidin-3-amine;N-ethyl-N-propan-2-ylpiperidin-4-amine;N-ethyl-N-propan-2-ylpyrrolidin-3-amine;methane;N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylazepan-4-amine;N-methyl-N-propan-2-ylazetidin-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine;N-(piperidin-4-ylmethyl)propan-2-amine;N-propan-2-ylazepan-4-amine;N-propan-2-ylazetidin-3-amine;N-propan-2-ylpiperidin-4-amine;N-propan-2-ylpyrrolidin-3-amine;bis(N-(pyrrolidin-3-ylmethyl)propan-2-amine)
CID 157642509
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
N-(azepan-4-ylmethyl)-N-methylpropan-2-amine;N-(azepan-4-ylmethyl)propan-2-amine;N-(azetidin-3-ylmethyl)-N-methylpropan-2-amine;N-(azetidin-3-ylmethyl)propan-2-amine;N-ethyl-N-propan-2-ylazepan-4-amine;N-ethyl-N-propan-2-ylazetidin-3-amine;N-ethyl-N-propan-2-ylpiperidin-4-amine;N-ethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylazepan-4-amine;N-methyl-N-propan-2-ylazetidin-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-(pyrrolidin-3-ylmethyl)propan-2-amine;molecular hydrogen;N-(piperidin-4-ylmethyl)propan-2-amine;N-propan-2-ylazepan-4-amine;N-propan-2-ylazetidin-3-amine;N-propan-2-ylpiperidin-4-amine;N-propan-2-ylpyrrolidin-3-amine;N-(pyrrolidin-3-ylmethyl)propan-2-amine
CID 159663200
1-Azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane
CID 160661074
1-Azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane
CID 160790690
N-(azepan-4-ylmethyl)-N-methylpropan-2-amine;N-(azepan-4-ylmethyl)propan-2-amine;N-(azetidin-3-ylmethyl)-N-methylpropan-2-amine;N-(azetidin-3-ylmethyl)propan-2-amine;N-ethyl-N-propan-2-ylazepan-4-amine;N-ethyl-N-propan-2-ylazetidin-3-amine;N-ethyl-N-propan-2-ylpiperidin-4-amine;N-ethyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylazepan-4-amine;N-methyl-N-propan-2-ylazetidin-3-amine;N-methyl-N-propan-2-ylpiperidin-4-amine;N-methyl-N-propan-2-ylpyrrolidin-3-amine;N-methyl-N-(pyrrolidin-3-ylmethyl)propan-2-amine;N-(piperidin-4-ylmethyl)propan-2-amine;N-propan-2-ylazepan-4-amine;N-propan-2-ylazetidin-3-amine;N-propan-2-ylpiperidin-4-amine;N-propan-2-ylpyrrolidin-3-amine;N-(pyrrolidin-3-ylmethyl)propan-2-amine
CID 162105992
3-Tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 165016314
2-Azaspiro[3.5]nonane;2-azaspiro[3.4]octane;azepane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane;2,6-diazaspiro[3.3]heptane;2,7-diazaspiro[3.5]nonane;2,7-diazaspiro[3.4]octane;1,4-diazepane;piperazine;bis(piperidine);pyrrolidine
CID 167634965

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane (CID 159784552) is 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane is CC(C)(C)N1C2CCC1CNC2.CC(C)(C)N1C2CCCC1C2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1C2CCNC1CC2.CC(C)(C)N1C2CNCC1C2.CC(C)(C)N1CC2CCC(C1)N2.CC(C)(C)N1CC2CCC(C2)C1.
What is the InChIKey of 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is NHUCKSRATVULJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H21N.3C10H20N2.C10H19N.C9H18N2/c1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)12-6-8-4-5-9(7-12)11-8;1-10(2,3)12-8-4-5-9(12)7-11-6-8;1-10(2,3)12-8-4-5-9(12)11-7-6-8;1-10(2,3)11-8-5-4-6-9(11)7-8;1-9(2,3)11-7-4-8(11)6-10-5-7/h2*9-10H,4-8H2,1-3H3;3*8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3.
What are the key properties of 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane?
6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 1146.97 g/mol, XLogP of 12.57, 0 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 159784552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).