2-[(2-methoxycyclohexyl)amino]benzonitrile

C14H18N2O — CID 43762433

IUPAC2-[(2-methoxycyclohexyl)amino]benzonitrile
SMILESCOC1CCCCC1Nc1ccccc1C#N
InChIInChI=1S/C14H18N2O/c1-17-14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3
InChIKeyVRQLMWWJMKAJCQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.93
Rot. Bonds3

About 2-[(2-methoxycyclohexyl)amino]benzonitrile

2-[(2-methoxycyclohexyl)amino]benzonitrile (PubChem CID 43762433) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(2-methoxycyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(2-methoxycyclohexyl)amino]benzonitrile
PubChem CID43762433
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[(2-methoxycyclohexyl)amino]benzonitrile
SMILESCOC1CCCCC1Nc1ccccc1C#N
InChIInChI=1S/C14H18N2O/c1-17-14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3
InChIKeyVRQLMWWJMKAJCQ-UHFFFAOYSA-N
XLogP2.93
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycyclohexyl)amino]benzonitrile?
The IUPAC name of 2-[(2-methoxycyclohexyl)amino]benzonitrile (CID 43762433) is 2-[(2-methoxycyclohexyl)amino]benzonitrile.
What is the SMILES notation for 2-[(2-methoxycyclohexyl)amino]benzonitrile?
The canonical SMILES for 2-[(2-methoxycyclohexyl)amino]benzonitrile is COC1CCCCC1Nc1ccccc1C#N.
What is the InChIKey of 2-[(2-methoxycyclohexyl)amino]benzonitrile?
The InChIKey is VRQLMWWJMKAJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3.
What are the key properties of 2-[(2-methoxycyclohexyl)amino]benzonitrile?
2-[(2-methoxycyclohexyl)amino]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycyclohexyl)amino]benzonitrile is sourced from PubChem (CID 43762433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).