2-(cycloheptylamino)-2-cyclopentylpropanenitrile

C15H26N2 — CID 55096819

IUPAC2-(cycloheptylamino)-2-cyclopentylpropanenitrile
SMILESCC(C#N)(NC1CCCCCC1)C1CCCC1
InChIInChI=1S/C15H26N2/c1-15(12-16,13-8-6-7-9-13)17-14-10-4-2-3-5-11-14/h13-14,17H,2-11H2,1H3
InChIKeyPPIRLXRKXMKGJL-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.77
Rot. Bonds3

About 2-(cycloheptylamino)-2-cyclopentylpropanenitrile

2-(cycloheptylamino)-2-cyclopentylpropanenitrile (PubChem CID 55096819) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-cyclopentylpropanenitrile.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-cyclopentylpropanenitrile
PubChem CID55096819
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-(cycloheptylamino)-2-cyclopentylpropanenitrile
SMILESCC(C#N)(NC1CCCCCC1)C1CCCC1
InChIInChI=1S/C15H26N2/c1-15(12-16,13-8-6-7-9-13)17-14-10-4-2-3-5-11-14/h13-14,17H,2-11H2,1H3
InChIKeyPPIRLXRKXMKGJL-UHFFFAOYSA-N
XLogP3.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-cyclopentylpropanenitrile?
The IUPAC name of 2-(cycloheptylamino)-2-cyclopentylpropanenitrile (CID 55096819) is 2-(cycloheptylamino)-2-cyclopentylpropanenitrile.
What is the SMILES notation for 2-(cycloheptylamino)-2-cyclopentylpropanenitrile?
The canonical SMILES for 2-(cycloheptylamino)-2-cyclopentylpropanenitrile is CC(C#N)(NC1CCCCCC1)C1CCCC1.
What is the InChIKey of 2-(cycloheptylamino)-2-cyclopentylpropanenitrile?
The InChIKey is PPIRLXRKXMKGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-15(12-16,13-8-6-7-9-13)17-14-10-4-2-3-5-11-14/h13-14,17H,2-11H2,1H3.
What are the key properties of 2-(cycloheptylamino)-2-cyclopentylpropanenitrile?
2-(cycloheptylamino)-2-cyclopentylpropanenitrile has a molecular weight of 234.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-cyclopentylpropanenitrile is sourced from PubChem (CID 55096819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).