3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile

C13H24N2 — CID 79836090

IUPAC3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCCCC1(C)C
InChIInChI=1S/C13H24N2/c1-4-11(8-10-14)15-12-7-5-6-9-13(12,2)3/h11-12,15H,4-9H2,1-3H3
InChIKeyRNKBNQJZBLGRPY-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.24
Rot. Bonds4

About 3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile

3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile (PubChem CID 79836090) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile
PubChem CID79836090
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCCCC1(C)C
InChIInChI=1S/C13H24N2/c1-4-11(8-10-14)15-12-7-5-6-9-13(12,2)3/h11-12,15H,4-9H2,1-3H3
InChIKeyRNKBNQJZBLGRPY-UHFFFAOYSA-N
XLogP3.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile?
The IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile (CID 79836090) is 3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile.
What is the SMILES notation for 3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile?
The canonical SMILES for 3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile is CCC(CC#N)NC1CCCCC1(C)C.
What is the InChIKey of 3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile?
The InChIKey is RNKBNQJZBLGRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-11(8-10-14)15-12-7-5-6-9-13(12,2)3/h11-12,15H,4-9H2,1-3H3.
What are the key properties of 3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile?
3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile is sourced from PubChem (CID 79836090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).