2-(cycloheptylamino)-2,3-dimethylpentanenitrile

C14H26N2 — CID 60997908

IUPAC2-(cycloheptylamino)-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(C#N)NC1CCCCCC1
InChIInChI=1S/C14H26N2/c1-4-12(2)14(3,11-15)16-13-9-7-5-6-8-10-13/h12-13,16H,4-10H2,1-3H3
InChIKeyZLSDMSHGGLQHRB-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.63
Rot. Bonds4

About 2-(cycloheptylamino)-2,3-dimethylpentanenitrile

2-(cycloheptylamino)-2,3-dimethylpentanenitrile (PubChem CID 60997908) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2,3-dimethylpentanenitrile.

Molecular Properties

Compound Name2-(cycloheptylamino)-2,3-dimethylpentanenitrile
PubChem CID60997908
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-(cycloheptylamino)-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(C#N)NC1CCCCCC1
InChIInChI=1S/C14H26N2/c1-4-12(2)14(3,11-15)16-13-9-7-5-6-8-10-13/h12-13,16H,4-10H2,1-3H3
InChIKeyZLSDMSHGGLQHRB-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2,3-dimethylpentanenitrile?
The IUPAC name of 2-(cycloheptylamino)-2,3-dimethylpentanenitrile (CID 60997908) is 2-(cycloheptylamino)-2,3-dimethylpentanenitrile.
What is the SMILES notation for 2-(cycloheptylamino)-2,3-dimethylpentanenitrile?
The canonical SMILES for 2-(cycloheptylamino)-2,3-dimethylpentanenitrile is CCC(C)C(C)(C#N)NC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylamino)-2,3-dimethylpentanenitrile?
The InChIKey is ZLSDMSHGGLQHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-12(2)14(3,11-15)16-13-9-7-5-6-8-10-13/h12-13,16H,4-10H2,1-3H3.
What are the key properties of 2-(cycloheptylamino)-2,3-dimethylpentanenitrile?
2-(cycloheptylamino)-2,3-dimethylpentanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2,3-dimethylpentanenitrile is sourced from PubChem (CID 60997908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).