5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile

C13H24N2 — CID 64734426

IUPAC5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile
SMILESCC1CC(C)CC(NCCCCC#N)C1
InChIInChI=1S/C13H24N2/c1-11-8-12(2)10-13(9-11)15-7-5-3-4-6-14/h11-13,15H,3-5,7-10H2,1-2H3
InChIKeyMSHQQLROIPBSDU-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.09
Rot. Bonds5

About 5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile

5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile (PubChem CID 64734426) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile
PubChem CID64734426
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile
SMILESCC1CC(C)CC(NCCCCC#N)C1
InChIInChI=1S/C13H24N2/c1-11-8-12(2)10-13(9-11)15-7-5-3-4-6-14/h11-13,15H,3-5,7-10H2,1-2H3
InChIKeyMSHQQLROIPBSDU-UHFFFAOYSA-N
XLogP3.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,6-dimethyloxan-4-yl)amino]pentanenitrile
CID 115906976
4-[(3-methylcyclohexyl)amino]butanenitrile
CID 43317904
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
4-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 64731694
3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
CID 96732218
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
3-methyl-N-(7-methyloctyl)cyclobutan-1-amine
CID 103560965
5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
CID 115716628
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
CID 103254539
2-[(3,5-dimethylcyclohexyl)amino]ethanol
CID 64723200
N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine
CID 65093543
3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide
CID 64750648

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile?
The IUPAC name of 5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile (CID 64734426) is 5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile.
What is the SMILES notation for 5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile?
The canonical SMILES for 5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile is CC1CC(C)CC(NCCCCC#N)C1.
What is the InChIKey of 5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile?
The InChIKey is MSHQQLROIPBSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11-8-12(2)10-13(9-11)15-7-5-3-4-6-14/h11-13,15H,3-5,7-10H2,1-2H3.
What are the key properties of 5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile?
5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile is sourced from PubChem (CID 64734426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).