1-(2-methylanilino)cyclohexane-1-carbonitrile

C14H18N2 — CID 3292804

IUPAC1-(2-methylanilino)cyclohexane-1-carbonitrile
SMILESCc1ccccc1NC1(C#N)CCCCC1
InChIInChI=1S/C14H18N2/c1-12-7-3-4-8-13(12)16-14(11-15)9-5-2-6-10-14/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKeyVSUJOUPJXSTZNH-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.63
Rot. Bonds2

About 1-(2-methylanilino)cyclohexane-1-carbonitrile

1-(2-methylanilino)cyclohexane-1-carbonitrile (PubChem CID 3292804) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2-methylanilino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methylanilino)cyclohexane-1-carbonitrile
PubChem CID3292804
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(2-methylanilino)cyclohexane-1-carbonitrile
SMILESCc1ccccc1NC1(C#N)CCCCC1
InChIInChI=1S/C14H18N2/c1-12-7-3-4-8-13(12)16-14(11-15)9-5-2-6-10-14/h3-4,7-8,16H,2,5-6,9-10H2,1H3
InChIKeyVSUJOUPJXSTZNH-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylanilino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-methylanilino)cyclohexane-1-carbonitrile (CID 3292804) is 1-(2-methylanilino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-methylanilino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-methylanilino)cyclohexane-1-carbonitrile is Cc1ccccc1NC1(C#N)CCCCC1.
What is the InChIKey of 1-(2-methylanilino)cyclohexane-1-carbonitrile?
The InChIKey is VSUJOUPJXSTZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-12-7-3-4-8-13(12)16-14(11-15)9-5-2-6-10-14/h3-4,7-8,16H,2,5-6,9-10H2,1H3.
What are the key properties of 1-(2-methylanilino)cyclohexane-1-carbonitrile?
1-(2-methylanilino)cyclohexane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylanilino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 3292804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).