6-(benzylamino)cyclohexene-1-carbonitrile

C14H16N2 — CID 130014257

IUPAC6-(benzylamino)cyclohexene-1-carbonitrile
SMILESN#CC1=CCCCC1NCc1ccccc1
InChIInChI=1S/C14H16N2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-3,6-8,14,16H,4-5,9,11H2
InChIKeyRWOMXCMLMLXFGO-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.78
Rot. Bonds3

About 6-(benzylamino)cyclohexene-1-carbonitrile

6-(benzylamino)cyclohexene-1-carbonitrile (PubChem CID 130014257) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 6-(benzylamino)cyclohexene-1-carbonitrile.

Molecular Properties

Compound Name6-(benzylamino)cyclohexene-1-carbonitrile
PubChem CID130014257
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name6-(benzylamino)cyclohexene-1-carbonitrile
SMILESN#CC1=CCCCC1NCc1ccccc1
InChIInChI=1S/C14H16N2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-3,6-8,14,16H,4-5,9,11H2
InChIKeyRWOMXCMLMLXFGO-UHFFFAOYSA-N
XLogP2.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)cyclohexene-1-carbonitrile?
The IUPAC name of 6-(benzylamino)cyclohexene-1-carbonitrile (CID 130014257) is 6-(benzylamino)cyclohexene-1-carbonitrile.
What is the SMILES notation for 6-(benzylamino)cyclohexene-1-carbonitrile?
The canonical SMILES for 6-(benzylamino)cyclohexene-1-carbonitrile is N#CC1=CCCCC1NCc1ccccc1.
What is the InChIKey of 6-(benzylamino)cyclohexene-1-carbonitrile?
The InChIKey is RWOMXCMLMLXFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-3,6-8,14,16H,4-5,9,11H2.
What are the key properties of 6-(benzylamino)cyclohexene-1-carbonitrile?
6-(benzylamino)cyclohexene-1-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)cyclohexene-1-carbonitrile is sourced from PubChem (CID 130014257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).