2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide

C12H21N3O — CID 62742043

IUPAC2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1CCCCC1C#N
InChIInChI=1S/C12H21N3O/c1-9(2)15-12(16)8-14-11-6-4-3-5-10(11)7-13/h9-11,14H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyDBSLTEOHIUDFMV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.18
Rot. Bonds4

About 2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide

2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide (PubChem CID 62742043) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
PubChem CID62742043
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1CCCCC1C#N
InChIInChI=1S/C12H21N3O/c1-9(2)15-12(16)8-14-11-6-4-3-5-10(11)7-13/h9-11,14H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyDBSLTEOHIUDFMV-UHFFFAOYSA-N
XLogP1.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanocyclohexyl)amino]acetamide
CID 62741855
2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158907
N-propan-2-yl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758473
2-[(2-cyanocyclopentyl)amino]-N,N-dimethylacetamide
CID 62743396
2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297
3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
CID 62742465
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
CID 62742466
2-[(3-methyl-2-propan-2-ylbutyl)amino]cycloheptane-1-carbonitrile
CID 102905558
5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
CID 62961989
2-[(2-hydroxycyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 62360034

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide (CID 62742043) is 2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC1CCCCC1C#N.
What is the InChIKey of 2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide?
The InChIKey is DBSLTEOHIUDFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)15-12(16)8-14-11-6-4-3-5-10(11)7-13/h9-11,14H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide?
2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62742043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).