1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile

C18H26N2O — CID 61006030

IUPAC1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
SMILESCOc1ccccc1NC1(C#N)CC(C)CCC1C(C)C
InChIInChI=1S/C18H26N2O/c1-13(2)15-10-9-14(3)11-18(15,12-19)20-16-7-5-6-8-17(16)21-4/h5-8,13-15,20H,9-11H2,1-4H3
InChIKeySXKFGGKGMQJVDZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.46
Rot. Bonds4

About 1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile

1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile (PubChem CID 61006030) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
PubChem CID61006030
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
SMILESCOc1ccccc1NC1(C#N)CC(C)CCC1C(C)C
InChIInChI=1S/C18H26N2O/c1-13(2)15-10-9-14(3)11-18(15,12-19)20-16-7-5-6-8-17(16)21-4/h5-8,13-15,20H,9-11H2,1-4H3
InChIKeySXKFGGKGMQJVDZ-UHFFFAOYSA-N
XLogP4.46
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile (CID 61006030) is 1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile is COc1ccccc1NC1(C#N)CC(C)CCC1C(C)C.
What is the InChIKey of 1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The InChIKey is SXKFGGKGMQJVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)15-10-9-14(3)11-18(15,12-19)20-16-7-5-6-8-17(16)21-4/h5-8,13-15,20H,9-11H2,1-4H3.
What are the key properties of 1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyanilino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 61006030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).