N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide

C16H27NO — CID 163434009

IUPACN,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide
SMILESCC1CC=C(N(C)C(=O)C2CCC(C)CC2)CC1
InChIInChI=1S/C16H27NO/c1-12-4-8-14(9-5-12)16(18)17(3)15-10-6-13(2)7-11-15/h10,12-14H,4-9,11H2,1-3H3
InChIKeyASXQLIHCURMBRL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.97
Rot. Bonds2

About N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide

N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide (PubChem CID 163434009) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide
PubChem CID163434009
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide
SMILESCC1CC=C(N(C)C(=O)C2CCC(C)CC2)CC1
InChIInChI=1S/C16H27NO/c1-12-4-8-14(9-5-12)16(18)17(3)15-10-6-13(2)7-11-15/h10,12-14H,4-9,11H2,1-3H3
InChIKeyASXQLIHCURMBRL-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide (CID 163434009) is N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide is CC1CC=C(N(C)C(=O)C2CCC(C)CC2)CC1.
What is the InChIKey of N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide?
The InChIKey is ASXQLIHCURMBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12-4-8-14(9-5-12)16(18)17(3)15-10-6-13(2)7-11-15/h10,12-14H,4-9,11H2,1-3H3.
What are the key properties of N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide?
N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(4-methylcyclohexen-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 163434009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).