N-(cyanomethyl)decanamide

C12H22N2O — CID 62399737

IUPACN-(cyanomethyl)decanamide
SMILESCCCCCCCCCC(=O)NCC#N
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-6-7-8-9-12(15)14-11-10-13/h2-9,11H2,1H3,(H,14,15)
InChIKeySQQSAKPBVBFLFA-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.77
Rot. Bonds9

About N-(cyanomethyl)decanamide

N-(cyanomethyl)decanamide (PubChem CID 62399737) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(cyanomethyl)decanamide.

Molecular Properties

Compound NameN-(cyanomethyl)decanamide
PubChem CID62399737
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(cyanomethyl)decanamide
SMILESCCCCCCCCCC(=O)NCC#N
InChIInChI=1S/C12H22N2O/c1-2-3-4-5-6-7-8-9-12(15)14-11-10-13/h2-9,11H2,1H3,(H,14,15)
InChIKeySQQSAKPBVBFLFA-UHFFFAOYSA-N
XLogP2.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)pentanamide;hydrochloride
CID 141008965
7-amino-N-(cyanomethyl)heptanamide
CID 61254077
N-(4-cyanobutyl)octanamide
CID 63284822
N-ethyltridecanamide
CID 23297417
N-ethylhexadecanamide
CID 18377756
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-(3-iodoprop-2-ynyl)octanamide
CID 71381929
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-hexadecylhexanamide
CID 4953738
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)decanamide?
The IUPAC name of N-(cyanomethyl)decanamide (CID 62399737) is N-(cyanomethyl)decanamide.
What is the SMILES notation for N-(cyanomethyl)decanamide?
The canonical SMILES for N-(cyanomethyl)decanamide is CCCCCCCCCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)decanamide?
The InChIKey is SQQSAKPBVBFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-4-5-6-7-8-9-12(15)14-11-10-13/h2-9,11H2,1H3,(H,14,15).
What are the key properties of N-(cyanomethyl)decanamide?
N-(cyanomethyl)decanamide has a molecular weight of 210.32 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)decanamide is sourced from PubChem (CID 62399737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).