5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile

C15H21N3 — CID 64749210

IUPAC5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile
SMILESCCC1CCCC(Nc2ccc(N)cc2C#N)C1
InChIInChI=1S/C15H21N3/c1-2-11-4-3-5-14(8-11)18-15-7-6-13(17)9-12(15)10-16/h6-7,9,11,14,18H,2-5,8,17H2,1H3
InChIKeyWANMYZNNTNPGBN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.52
Rot. Bonds3

About 5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile

5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile (PubChem CID 64749210) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile
PubChem CID64749210
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile
SMILESCCC1CCCC(Nc2ccc(N)cc2C#N)C1
InChIInChI=1S/C15H21N3/c1-2-11-4-3-5-14(8-11)18-15-7-6-13(17)9-12(15)10-16/h6-7,9,11,14,18H,2-5,8,17H2,1H3
InChIKeyWANMYZNNTNPGBN-UHFFFAOYSA-N
XLogP3.52
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-ethylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 64750191
1-N-(3-ethylcyclohexyl)-2-fluorobenzene-1,4-diamine
CID 64749014
5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 103287126
4-[(3-ethylcyclohexyl)amino]benzene-1,2-dicarbonitrile
CID 107788181
5-amino-2-[(4-hydroxycyclohexyl)amino]benzonitrile
CID 61286168
5-amino-2-(cyclopentylmethylamino)benzonitrile
CID 61296175
5-amino-2-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 63996057
4-bromo-2-N-(3-ethylcyclohexyl)benzene-1,2-diamine
CID 65342365
5-amino-2-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 61295781
5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 103965284
3-bromo-4-[(3-ethylcyclopentyl)amino]benzonitrile
CID 64502119
3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 133319384

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile?
The IUPAC name of 5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile (CID 64749210) is 5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile is CCC1CCCC(Nc2ccc(N)cc2C#N)C1.
What is the InChIKey of 5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile?
The InChIKey is WANMYZNNTNPGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-11-4-3-5-14(8-11)18-15-7-6-13(17)9-12(15)10-16/h6-7,9,11,14,18H,2-5,8,17H2,1H3.
What are the key properties of 5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile?
5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 64749210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).