N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide

C14H24N2O — CID 116817135

IUPACN-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCC(CC#N)CC1
InChIInChI=1S/C14H24N2O/c1-11(2)3-8-14(17)16-13-6-4-12(5-7-13)9-10-15/h11-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyNBPYECRRQFLPDH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds5

About N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide

N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide (PubChem CID 116817135) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide
PubChem CID116817135
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCC(CC#N)CC1
InChIInChI=1S/C14H24N2O/c1-11(2)3-8-14(17)16-13-6-4-12(5-7-13)9-10-15/h11-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyNBPYECRRQFLPDH-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-methylpentanoylamino)cyclohexyl]acetic acid
CID 116817186
N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylpentanamide
CID 116817227
N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide
CID 115270253
N-(4-cyanocyclohexyl)-5-methylhexanamide
CID 116817048
N-[4-(cyanomethyl)cyclohexyl]-2-(1-methylpyrrolidin-3-yl)acetamide
CID 116817146
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
N-(3-aminocyclopentyl)-5-methylhexanamide
CID 115272906
3-(cyanomethylamino)-N-cyclopropylpropanamide
CID 79394850
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylbutanamide
CID 63626076
4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
4-amino-N-(4-ethylcyclohexyl)pentanamide;hydrochloride
CID 120560101
N-(azepan-4-yl)-4-methylpentanamide
CID 105059595

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide?
The IUPAC name of N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide (CID 116817135) is N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide.
What is the SMILES notation for N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide?
The canonical SMILES for N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide is CC(C)CCC(=O)NC1CCC(CC#N)CC1.
What is the InChIKey of N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide?
The InChIKey is NBPYECRRQFLPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)3-8-14(17)16-13-6-4-12(5-7-13)9-10-15/h11-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide?
N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide has a molecular weight of 236.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)cyclohexyl]-4-methylpentanamide is sourced from PubChem (CID 116817135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).