2-anilinocyclohexane-1-carbonitrile

C13H16N2 — CID 62741639

IUPAC2-anilinocyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Nc1ccccc1
InChIInChI=1S/C13H16N2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-3,7-8,11,13,15H,4-6,9H2
InChIKeyDOVPHINHDHTXJB-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.18
Rot. Bonds2

About 2-anilinocyclohexane-1-carbonitrile

2-anilinocyclohexane-1-carbonitrile (PubChem CID 62741639) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-anilinocyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-anilinocyclohexane-1-carbonitrile
PubChem CID62741639
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-anilinocyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Nc1ccccc1
InChIInChI=1S/C13H16N2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-3,7-8,11,13,15H,4-6,9H2
InChIKeyDOVPHINHDHTXJB-UHFFFAOYSA-N
XLogP3.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilinocyclohexane-1-carbonitrile?
The IUPAC name of 2-anilinocyclohexane-1-carbonitrile (CID 62741639) is 2-anilinocyclohexane-1-carbonitrile.
What is the SMILES notation for 2-anilinocyclohexane-1-carbonitrile?
The canonical SMILES for 2-anilinocyclohexane-1-carbonitrile is N#CC1CCCCC1Nc1ccccc1.
What is the InChIKey of 2-anilinocyclohexane-1-carbonitrile?
The InChIKey is DOVPHINHDHTXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-3,7-8,11,13,15H,4-6,9H2.
What are the key properties of 2-anilinocyclohexane-1-carbonitrile?
2-anilinocyclohexane-1-carbonitrile has a molecular weight of 200.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinocyclohexane-1-carbonitrile is sourced from PubChem (CID 62741639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).