N-(1-cyano-2-methylpropyl)heptanamide

C12H22N2O — CID 115621038

IUPACN-(1-cyano-2-methylpropyl)heptanamide
SMILESCCCCCCC(=O)NC(C#N)C(C)C
InChIInChI=1S/C12H22N2O/c1-4-5-6-7-8-12(15)14-11(9-13)10(2)3/h10-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyGYDVLFWEMBSFMH-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.62
Rot. Bonds7

About N-(1-cyano-2-methylpropyl)heptanamide

N-(1-cyano-2-methylpropyl)heptanamide (PubChem CID 115621038) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)heptanamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)heptanamide
PubChem CID115621038
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1-cyano-2-methylpropyl)heptanamide
SMILESCCCCCCC(=O)NC(C#N)C(C)C
InChIInChI=1S/C12H22N2O/c1-4-5-6-7-8-12(15)14-11(9-13)10(2)3/h10-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyGYDVLFWEMBSFMH-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanopropyl)heptanamide
CID 115605228
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-pentan-2-ylundecanamide
CID 173258559
2-(dodecanoylamino)propanoyl chloride
CID 146268547
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N-heptan-2-yldodecanamide
CID 3484810
N-butan-2-ylnonanamide
CID 4188803
N-butan-2-ylhexacosanamide
CID 163047877

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)heptanamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)heptanamide (CID 115621038) is N-(1-cyano-2-methylpropyl)heptanamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)heptanamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)heptanamide is CCCCCCC(=O)NC(C#N)C(C)C.
What is the InChIKey of N-(1-cyano-2-methylpropyl)heptanamide?
The InChIKey is GYDVLFWEMBSFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-6-7-8-12(15)14-11(9-13)10(2)3/h10-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(1-cyano-2-methylpropyl)heptanamide?
N-(1-cyano-2-methylpropyl)heptanamide has a molecular weight of 210.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)heptanamide is sourced from PubChem (CID 115621038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).