2-[(2-cyanocyclohexyl)amino]acetamide

C9H15N3O — CID 62741855

IUPAC2-[(2-cyanocyclohexyl)amino]acetamide
SMILESN#CC1CCCCC1NCC(N)=O
InChIInChI=1S/C9H15N3O/c10-5-7-3-1-2-4-8(7)12-6-9(11)13/h7-8,12H,1-4,6H2,(H2,11,13)
InChIKeyHLRCMLDQJWPGHP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.14
Rot. Bonds3

About 2-[(2-cyanocyclohexyl)amino]acetamide

2-[(2-cyanocyclohexyl)amino]acetamide (PubChem CID 62741855) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(2-cyanocyclohexyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-cyanocyclohexyl)amino]acetamide
PubChem CID62741855
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[(2-cyanocyclohexyl)amino]acetamide
SMILESN#CC1CCCCC1NCC(N)=O
InChIInChI=1S/C9H15N3O/c10-5-7-3-1-2-4-8(7)12-6-9(11)13/h7-8,12H,1-4,6H2,(H2,11,13)
InChIKeyHLRCMLDQJWPGHP-UHFFFAOYSA-N
XLogP0.14
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62742043
2-[(2-cyanocyclopentyl)amino]-N,N-dimethylacetamide
CID 62743396
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-(prop-2-enylamino)cyclohexane-1-carbonitrile
CID 62743491
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982
3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
CID 62742465
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
[(1R,2R)-2-cyanocyclohexyl]carbamic acid
CID 89240043
3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
CID 62742466
4-[[(2-cyanocyclopentyl)amino]methyl]benzamide
CID 55154245
3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide
CID 79393765

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanocyclohexyl)amino]acetamide?
The IUPAC name of 2-[(2-cyanocyclohexyl)amino]acetamide (CID 62741855) is 2-[(2-cyanocyclohexyl)amino]acetamide.
What is the SMILES notation for 2-[(2-cyanocyclohexyl)amino]acetamide?
The canonical SMILES for 2-[(2-cyanocyclohexyl)amino]acetamide is N#CC1CCCCC1NCC(N)=O.
What is the InChIKey of 2-[(2-cyanocyclohexyl)amino]acetamide?
The InChIKey is HLRCMLDQJWPGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-5-7-3-1-2-4-8(7)12-6-9(11)13/h7-8,12H,1-4,6H2,(H2,11,13).
What are the key properties of 2-[(2-cyanocyclohexyl)amino]acetamide?
2-[(2-cyanocyclohexyl)amino]acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanocyclohexyl)amino]acetamide is sourced from PubChem (CID 62741855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).