N-cyano-2-pentylheptanamide

C13H24N2O — CID 138478064

IUPACN-cyano-2-pentylheptanamide
SMILESCCCCCC(CCCCC)C(=O)NC#N
InChIInChI=1S/C13H24N2O/c1-3-5-7-9-12(10-8-6-4-2)13(16)15-11-14/h12H,3-10H2,1-2H3,(H,15,16)
InChIKeyPVSKBZZCELQIFR-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.36
Rot. Bonds9

About N-cyano-2-pentylheptanamide

N-cyano-2-pentylheptanamide (PubChem CID 138478064) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-cyano-2-pentylheptanamide.

Molecular Properties

Compound NameN-cyano-2-pentylheptanamide
PubChem CID138478064
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-cyano-2-pentylheptanamide
SMILESCCCCCC(CCCCC)C(=O)NC#N
InChIInChI=1S/C13H24N2O/c1-3-5-7-9-12(10-8-6-4-2)13(16)15-11-14/h12H,3-10H2,1-2H3,(H,15,16)
InChIKeyPVSKBZZCELQIFR-UHFFFAOYSA-N
XLogP3.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-N-hydroxyoctanamide
CID 139661264
N-octadecyl-2-octylicosanamide
CID 154636535
2-amino-N-cyanopentanamide
CID 79195129
2-dodecyl-N-(2-dodecyltetradecanoylamino)oxytetradecanamide
CID 173246682
3-pentylnonan-2-one
CID 21290467
3-butylundecan-2-one
CID 10922232
2-undecyltridecanoic acid;hydrate
CID 162315261
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
9,11-dipentylnonadecan-10-one
CID 174915946
11,13-diheptyltricosan-12-one
CID 175328104
2-butyl-N-(3-methylbutyl)octanamide
CID 167250980
2-ethyl-N-methyltetradecanamide
CID 161072731

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-pentylheptanamide?
The IUPAC name of N-cyano-2-pentylheptanamide (CID 138478064) is N-cyano-2-pentylheptanamide.
What is the SMILES notation for N-cyano-2-pentylheptanamide?
The canonical SMILES for N-cyano-2-pentylheptanamide is CCCCCC(CCCCC)C(=O)NC#N.
What is the InChIKey of N-cyano-2-pentylheptanamide?
The InChIKey is PVSKBZZCELQIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-7-9-12(10-8-6-4-2)13(16)15-11-14/h12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-cyano-2-pentylheptanamide?
N-cyano-2-pentylheptanamide has a molecular weight of 224.35 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-pentylheptanamide is sourced from PubChem (CID 138478064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).