1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide

C13H22N2O — CID 80598370

IUPAC1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)CCCC(C)NC(=O)C1(C#N)CC1
InChIInChI=1S/C13H22N2O/c1-10(2)5-4-6-11(3)15-12(16)13(9-14)7-8-13/h10-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyWHZCAAMGAWBZII-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds6

About 1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide

1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide (PubChem CID 80598370) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
PubChem CID80598370
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)CCCC(C)NC(=O)C1(C#N)CC1
InChIInChI=1S/C13H22N2O/c1-10(2)5-4-6-11(3)15-12(16)13(9-14)7-8-13/h10-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyWHZCAAMGAWBZII-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 103820750
1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82938688
1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
CID 80588231
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
1-cyano-N-(3-ethylpentan-2-yl)cyclopropane-1-carboxamide
CID 80591827
1-cyano-N-[(2S)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 166567883
1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide
CID 115636303
4-methyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide
CID 63122377
N-(4-amino-4-oxobutan-2-yl)-4-cyanooxane-4-carboxamide
CID 115664806
1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide
CID 106350128

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide (CID 80598370) is 1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide is CC(C)CCCC(C)NC(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is WHZCAAMGAWBZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)5-4-6-11(3)15-12(16)13(9-14)7-8-13/h10-11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide?
1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80598370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).