2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide

C12H21N3O — CID 78996361

IUPAC2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
SMILESCC(C#N)C(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H21N3O/c1-10(8-13)11(16)14-9-12(15(2)3)6-4-5-7-12/h10H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyAUJSTNDXNMXKHN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds4

About 2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide

2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide (PubChem CID 78996361) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
PubChem CID78996361
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
SMILESCC(C#N)C(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H21N3O/c1-10(8-13)11(16)14-9-12(15(2)3)6-4-5-7-12/h10H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyAUJSTNDXNMXKHN-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(1-methylcyclopentyl)methyl]propanamide
CID 63829788
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
CID 103516127
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
CID 105417065
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 83113826
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide?
The IUPAC name of 2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide (CID 78996361) is 2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide.
What is the SMILES notation for 2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide?
The canonical SMILES for 2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide is CC(C#N)C(=O)NCC1(N(C)C)CCCC1.
What is the InChIKey of 2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide?
The InChIKey is AUJSTNDXNMXKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(8-13)11(16)14-9-12(15(2)3)6-4-5-7-12/h10H,4-7,9H2,1-3H3,(H,14,16).
What are the key properties of 2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide?
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide has a molecular weight of 223.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 78996361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).