N-(1-cyanopropan-2-yl)-2-methylpentanamide

C10H18N2O — CID 62094798

IUPACN-(1-cyanopropan-2-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC(C)CC#N
InChIInChI=1S/C10H18N2O/c1-4-5-8(2)10(13)12-9(3)6-7-11/h8-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyXTOSVGGNEXGRIJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.84
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-2-methylpentanamide

N-(1-cyanopropan-2-yl)-2-methylpentanamide (PubChem CID 62094798) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-methylpentanamide
PubChem CID62094798
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(1-cyanopropan-2-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC(C)CC#N
InChIInChI=1S/C10H18N2O/c1-4-5-8(2)10(13)12-9(3)6-7-11/h8-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyXTOSVGGNEXGRIJ-UHFFFAOYSA-N
XLogP1.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782
(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
CID 62093737
2-methyl-N-propan-2-ylpentanamide
CID 4628268
4-(1-cyanopropan-2-ylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498239
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754
1-(1-cyanopropan-2-yl)-3-propan-2-ylurea
CID 62092806
2-amino-N-(1-cyanopropan-2-yl)-4-methoxybutanamide
CID 62475778
(3R)-3-(prop-1-en-2-ylamino)butanenitrile
CID 177367987
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide
CID 62093373
3-methyl-2-(2-methylpentanoylamino)butanoic acid
CID 43209765
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-methylpentanamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-methylpentanamide (CID 62094798) is N-(1-cyanopropan-2-yl)-2-methylpentanamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-methylpentanamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-methylpentanamide is CCCC(C)C(=O)NC(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-methylpentanamide?
The InChIKey is XTOSVGGNEXGRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-8(2)10(13)12-9(3)6-7-11/h8-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(1-cyanopropan-2-yl)-2-methylpentanamide?
N-(1-cyanopropan-2-yl)-2-methylpentanamide has a molecular weight of 182.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-methylpentanamide is sourced from PubChem (CID 62094798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).