2-(cycloheptylamino)-2-cyclohexylpropanenitrile

C16H28N2 — CID 54894015

IUPAC2-(cycloheptylamino)-2-cyclohexylpropanenitrile
SMILESCC(C#N)(NC1CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2/c1-16(13-17,14-9-5-4-6-10-14)18-15-11-7-2-3-8-12-15/h14-15,18H,2-12H2,1H3
InChIKeyJPWFEDKTTKZGOS-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.16
Rot. Bonds3

About 2-(cycloheptylamino)-2-cyclohexylpropanenitrile

2-(cycloheptylamino)-2-cyclohexylpropanenitrile (PubChem CID 54894015) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-cyclohexylpropanenitrile.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-cyclohexylpropanenitrile
PubChem CID54894015
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-(cycloheptylamino)-2-cyclohexylpropanenitrile
SMILESCC(C#N)(NC1CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2/c1-16(13-17,14-9-5-4-6-10-14)18-15-11-7-2-3-8-12-15/h14-15,18H,2-12H2,1H3
InChIKeyJPWFEDKTTKZGOS-UHFFFAOYSA-N
XLogP4.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-cyclohexylpropanenitrile?
The IUPAC name of 2-(cycloheptylamino)-2-cyclohexylpropanenitrile (CID 54894015) is 2-(cycloheptylamino)-2-cyclohexylpropanenitrile.
What is the SMILES notation for 2-(cycloheptylamino)-2-cyclohexylpropanenitrile?
The canonical SMILES for 2-(cycloheptylamino)-2-cyclohexylpropanenitrile is CC(C#N)(NC1CCCCCC1)C1CCCCC1.
What is the InChIKey of 2-(cycloheptylamino)-2-cyclohexylpropanenitrile?
The InChIKey is JPWFEDKTTKZGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16(13-17,14-9-5-4-6-10-14)18-15-11-7-2-3-8-12-15/h14-15,18H,2-12H2,1H3.
What are the key properties of 2-(cycloheptylamino)-2-cyclohexylpropanenitrile?
2-(cycloheptylamino)-2-cyclohexylpropanenitrile has a molecular weight of 248.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-cyclohexylpropanenitrile is sourced from PubChem (CID 54894015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).