9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide

C18H32N2O — CID 120990552

IUPAC9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CC(C)CC(NC(=O)C2CC3CCCC(C2)C3N)C1
InChIInChI=1S/C18H32N2O/c1-11-6-12(2)8-16(7-11)20-18(21)15-9-13-4-3-5-14(10-15)17(13)19/h11-17H,3-10,19H2,1-2H3,(H,20,21)
InChIKeyBOIWAAQOVNMSHB-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.08
Rot. Bonds2

About 9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120990552) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120990552
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CC(C)CC(NC(=O)C2CC3CCCC(C2)C3N)C1
InChIInChI=1S/C18H32N2O/c1-11-6-12(2)8-16(7-11)20-18(21)15-9-13-4-3-5-14(10-15)17(13)19/h11-17H,3-10,19H2,1-2H3,(H,20,21)
InChIKeyBOIWAAQOVNMSHB-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

9-amino-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983734
4-amino-N-(3,5-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64733535
9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120990988
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987251
9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120994125
(3R)-N-(3,5-dimethylcyclohexyl)piperidine-3-carboxamide
CID 81134524
9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990013
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide
CID 115267769
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104963769
methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120985037

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120990552) is 9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide is CC1CC(C)CC(NC(=O)C2CC3CCCC(C2)C3N)C1.
What is the InChIKey of 9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is BOIWAAQOVNMSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-11-6-12(2)8-16(7-11)20-18(21)15-9-13-4-3-5-14(10-15)17(13)19/h11-17H,3-10,19H2,1-2H3,(H,20,21).
What are the key properties of 9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120990552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).