3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H30N2O — CID 79135498

IUPAC3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1(C)CCC(CN)(C2(O)CC3CCC(C2)N3)CC1
InChIInChI=1S/C16H30N2O/c1-14(2)5-7-15(11-17,8-6-14)16(19)9-12-3-4-13(10-16)18-12/h12-13,18-19H,3-11,17H2,1-2H3
InChIKeyLPXKSAJQUOAHJR-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.18
Rot. Bonds2

About 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol

3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 79135498) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID79135498
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1(C)CCC(CN)(C2(O)CC3CCC(C2)N3)CC1
InChIInChI=1S/C16H30N2O/c1-14(2)5-7-15(11-17,8-6-14)16(19)9-12-3-4-13(10-16)18-12/h12-13,18-19H,3-11,17H2,1-2H3
InChIKeyLPXKSAJQUOAHJR-UHFFFAOYSA-N
XLogP2.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
CID 79124995
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol
CID 80699615
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4,4-dimethylcycloheptan-1-ol
CID 79124186
3-[1-(aminomethyl)cyclopropyl]azetidin-3-ol
CID 130513389
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol
CID 79124822
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol
CID 80698467
3-ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45083126
3-[1-(aminomethyl)cyclopropyl]-1,5-dimethylpyrrolidin-3-ol
CID 130513403
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 79135498) is 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol is CC1(C)CCC(CN)(C2(O)CC3CCC(C2)N3)CC1.
What is the InChIKey of 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LPXKSAJQUOAHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2)5-7-15(11-17,8-6-14)16(19)9-12-3-4-13(10-16)18-12/h12-13,18-19H,3-11,17H2,1-2H3.
What are the key properties of 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 266.43 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 79135498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).