4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile

C14H26N2 — CID 110209328

IUPAC4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile
SMILESCC1CCCC(NCC(C)(C)CCC#N)C1
InChIInChI=1S/C14H26N2/c1-12-6-4-7-13(10-12)16-11-14(2,3)8-5-9-15/h12-13,16H,4-8,10-11H2,1-3H3
InChIKeyVWLASWOEKNSTHZ-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.48
Rot. Bonds5

About 4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile

4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile (PubChem CID 110209328) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile
PubChem CID110209328
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile
SMILESCC1CCCC(NCC(C)(C)CCC#N)C1
InChIInChI=1S/C14H26N2/c1-12-6-4-7-13(10-12)16-11-14(2,3)8-5-9-15/h12-13,16H,4-8,10-11H2,1-3H3
InChIKeyVWLASWOEKNSTHZ-UHFFFAOYSA-N
XLogP3.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile (CID 110209328) is 4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile is CC1CCCC(NCC(C)(C)CCC#N)C1.
What is the InChIKey of 4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile?
The InChIKey is VWLASWOEKNSTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12-6-4-7-13(10-12)16-11-14(2,3)8-5-9-15/h12-13,16H,4-8,10-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile?
4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile is sourced from PubChem (CID 110209328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).