4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide

C16H29N3O — CID 65472567

IUPAC4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1CCC(N)CC1)C2
InChIInChI=1S/C16H29N3O/c1-19-14-3-2-4-15(19)10-13(9-14)18-16(20)11-5-7-12(17)8-6-11/h11-15H,2-10,17H2,1H3,(H,18,20)
InChIKeyJPHLXRFZPSBMNC-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.64
Rot. Bonds2

About 4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide

4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide (PubChem CID 65472567) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
PubChem CID65472567
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1CCC(N)CC1)C2
InChIInChI=1S/C16H29N3O/c1-19-14-3-2-4-15(19)10-13(9-14)18-16(20)11-5-7-12(17)8-6-11/h11-15H,2-10,17H2,1H3,(H,18,20)
InChIKeyJPHLXRFZPSBMNC-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119892062
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-carboxamide
CID 65470856
4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
CID 79741156
N-[(1S,5S)-9-(methylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
CID 7403615
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276
3-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 65471987
6-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-2-carboxamide
CID 65471266
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 19097464
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)cyclobutanecarboxamide
CID 115267769

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide (CID 65472567) is 4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide is CN1C2CCCC1CC(NC(=O)C1CCC(N)CC1)C2.
What is the InChIKey of 4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is JPHLXRFZPSBMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-19-14-3-2-4-15(19)10-13(9-14)18-16(20)11-5-7-12(17)8-6-11/h11-15H,2-10,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide?
4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 65472567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).