N-(2-cyanopropyl)-N-methylheptanamide

C12H22N2O — CID 115593392

IUPACN-(2-cyanopropyl)-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)CC(C)C#N
InChIInChI=1S/C12H22N2O/c1-4-5-6-7-8-12(15)14(3)10-11(2)9-13/h11H,4-8,10H2,1-3H3
InChIKeyWVVCXPSJMZVYIZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.57
Rot. Bonds7

About N-(2-cyanopropyl)-N-methylheptanamide

N-(2-cyanopropyl)-N-methylheptanamide (PubChem CID 115593392) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methylheptanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methylheptanamide
PubChem CID115593392
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(2-cyanopropyl)-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)CC(C)C#N
InChIInChI=1S/C12H22N2O/c1-4-5-6-7-8-12(15)14(3)10-11(2)9-13/h11H,4-8,10H2,1-3H3
InChIKeyWVVCXPSJMZVYIZ-UHFFFAOYSA-N
XLogP2.57
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromopropyl)-N-methyloctanamide
CID 80665103
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
CID 55008354
N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
CID 79204539
N-(2-chloropropyl)-N-methylhexanamide
CID 63394168
N-(3-amino-2-methylpropyl)-N-methyldecanamide
CID 65448907
N-(2-cyanopropyl)-N,3-dimethylpentanamide
CID 114874726
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 15775348
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
CID 98049415
N-methyl-N-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 95566091

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methylheptanamide?
The IUPAC name of N-(2-cyanopropyl)-N-methylheptanamide (CID 115593392) is N-(2-cyanopropyl)-N-methylheptanamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methylheptanamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methylheptanamide is CCCCCCC(=O)N(C)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-N-methylheptanamide?
The InChIKey is WVVCXPSJMZVYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-6-7-8-12(15)14(3)10-11(2)9-13/h11H,4-8,10H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-methylheptanamide?
N-(2-cyanopropyl)-N-methylheptanamide has a molecular weight of 210.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methylheptanamide is sourced from PubChem (CID 115593392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).