9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

C18H32N2O — CID 120987251

IUPAC9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CCCC(CNC(=O)C2CC3CCCC(C2)C3N)C1
InChIInChI=1S/C18H32N2O/c1-12-4-2-5-13(8-12)11-20-18(21)16-9-14-6-3-7-15(10-16)17(14)19/h12-17H,2-11,19H2,1H3,(H,20,21)
InChIKeyHWRCADZTMNXNNV-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.08
Rot. Bonds3

About 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120987251) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120987251
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CCCC(CNC(=O)C2CC3CCCC(C2)C3N)C1
InChIInChI=1S/C18H32N2O/c1-12-4-2-5-13(8-12)11-20-18(21)16-9-14-6-3-7-15(10-16)17(14)19/h12-17H,2-11,19H2,1H3,(H,20,21)
InChIKeyHWRCADZTMNXNNV-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
9-amino-N-(oxan-3-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986884
9-amino-N-[2-(cyclopropylmethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120994182
9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983832
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989389
9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
N-[(3-bromocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106132587
9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120990552

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120987251) is 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is CC1CCCC(CNC(=O)C2CC3CCCC(C2)C3N)C1.
What is the InChIKey of 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is HWRCADZTMNXNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-12-4-2-5-13(8-12)11-20-18(21)16-9-14-6-3-7-15(10-16)17(14)19/h12-17H,2-11,19H2,1H3,(H,20,21).
What are the key properties of 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120987251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).