2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide

C16H29N3O — CID 61235181

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C16H29N3O/c1-11-4-2-3-5-15(11)18-16(20)10-19-13-6-7-14(19)9-12(17)8-13/h11-15H,2-10,17H2,1H3,(H,18,20)
InChIKeyDMPGTQXNOAOQNI-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.64
Rot. Bonds3

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 61235181) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide
PubChem CID61235181
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C16H29N3O/c1-11-4-2-3-5-15(11)18-16(20)10-19-13-6-7-14(19)9-12(17)8-13/h11-15H,2-10,17H2,1H3,(H,18,20)
InChIKeyDMPGTQXNOAOQNI-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

N-(2,3-dimethylcyclohexyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 63768358
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide
CID 61235196
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 80505960
2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-methylcyclohexyl)acetamide
CID 16669468
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8546110
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(tert-butylcarbamoyl)acetamide
CID 61236323
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 61234449

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide (CID 61235181) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CN1C2CCC1CC(N)C2.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is DMPGTQXNOAOQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11-4-2-3-5-15(11)18-16(20)10-19-13-6-7-14(19)9-12(17)8-13/h11-15H,2-10,17H2,1H3,(H,18,20).
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 279.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 61235181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).