5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile

C17H25N3 — CID 103965284

IUPAC5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
SMILESCC1(C)CC(Nc2ccc(N)cc2C#N)CC(C)(C)C1
InChIInChI=1S/C17H25N3/c1-16(2)8-14(9-17(3,4)11-16)20-15-6-5-13(19)7-12(15)10-18/h5-7,14,20H,8-9,11,19H2,1-4H3
InChIKeyYEWGBSRCVAUMSO-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.16
Rot. Bonds2

About 5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile

5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile (PubChem CID 103965284) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
PubChem CID103965284
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
SMILESCC1(C)CC(Nc2ccc(N)cc2C#N)CC(C)(C)C1
InChIInChI=1S/C17H25N3/c1-16(2)8-14(9-17(3,4)11-16)20-15-6-5-13(19)7-12(15)10-18/h5-7,14,20H,8-9,11,19H2,1-4H3
InChIKeyYEWGBSRCVAUMSO-UHFFFAOYSA-N
XLogP4.16
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.16
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

5-amino-2-[(4-hydroxycyclohexyl)amino]benzonitrile
CID 61286168
2-[(3,3-dimethylcyclopentyl)amino]-5-methylbenzonitrile
CID 107927907
5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile
CID 64749210
2-bromo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 107276645
2,4-dichloro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681827
2-methyl-6-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 107803202
5-amino-2-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 63996057
5-amino-2-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 61295781
5-amino-2-(2,2-dimethylpropylamino)benzonitrile
CID 61296921
5-bromo-2-[(2,2-dimethylcyclopropyl)amino]benzonitrile
CID 114890613
5-bromo-2-[(4,4-dimethylcycloheptyl)amino]benzonitrile
CID 82708566
3-fluoro-5-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 102817183

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile?
The IUPAC name of 5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile (CID 103965284) is 5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile is CC1(C)CC(Nc2ccc(N)cc2C#N)CC(C)(C)C1.
What is the InChIKey of 5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile?
The InChIKey is YEWGBSRCVAUMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-16(2)8-14(9-17(3,4)11-16)20-15-6-5-13(19)7-12(15)10-18/h5-7,14,20H,8-9,11,19H2,1-4H3.
What are the key properties of 5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile?
5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile has a molecular weight of 271.41 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 103965284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).