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

C16H29N3O — CID 65472005

IUPAC1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1(N)CCCCC1)C2
InChIInChI=1S/C16H29N3O/c1-19-13-6-5-7-14(19)11-12(10-13)18-15(20)16(17)8-3-2-4-9-16/h12-14H,2-11,17H2,1H3,(H,18,20)
InChIKeyNJTONVIUFWQYIV-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.78
Rot. Bonds2

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

1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide (PubChem CID 65472005) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
PubChem CID65472005
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1(N)CCCCC1)C2
InChIInChI=1S/C16H29N3O/c1-19-13-6-5-7-14(19)11-12(10-13)18-15(20)16(17)8-3-2-4-9-16/h12-14H,2-11,17H2,1H3,(H,18,20)
InChIKeyNJTONVIUFWQYIV-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopentane-1-carboxamide
CID 65472189
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide
CID 127795927
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
1-(N'-hydroxycarbamimidoyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclobutane-1-carboxamide
CID 80599735
1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 119339856
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
1-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339847
1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119864838
1-amino-N-(3-methylsulfanylcyclohexyl)cyclopentane-1-carboxamide
CID 103797407
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
1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 71926291

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide (CID 65472005) is 1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide is CN1C2CCCC1CC(NC(=O)C1(N)CCCCC1)C2.
What is the InChIKey of 1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is NJTONVIUFWQYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-19-13-6-5-7-14(19)11-12(10-13)18-15(20)16(17)8-3-2-4-9-16/h12-14H,2-11,17H2,1H3,(H,18,20).
What are the key properties of 1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide?
1-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 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 65472005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).