3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile

C17H30N2 — CID 62646058

IUPAC3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C17H30N2/c1-2-15(12-13-18)19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h14-17,19H,2-12H2,1H3
InChIKeyHASNCQFEPLEQFP-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.41
Rot. Bonds5

About 3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile

3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile (PubChem CID 62646058) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile
PubChem CID62646058
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C17H30N2/c1-2-15(12-13-18)19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h14-17,19H,2-12H2,1H3
InChIKeyHASNCQFEPLEQFP-UHFFFAOYSA-N
XLogP4.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile?
The IUPAC name of 3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile (CID 62646058) is 3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile.
What is the SMILES notation for 3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile?
The canonical SMILES for 3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile is CCC(CC#N)NC1CCCCC1C1CCCCC1.
What is the InChIKey of 3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile?
The InChIKey is HASNCQFEPLEQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-2-15(12-13-18)19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h14-17,19H,2-12H2,1H3.
What are the key properties of 3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile?
3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile has a molecular weight of 262.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile is sourced from PubChem (CID 62646058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).