2-propyl-2-(propylamino)pentanenitrile

C11H22N2 — CID 28900772

IUPAC2-propyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CCC)CCC
InChIInChI=1S/C11H22N2/c1-4-7-11(10-12,8-5-2)13-9-6-3/h13H,4-9H2,1-3H3
InChIKeyXOJIRNJUFWAVCW-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.85
Rot. Bonds7

About 2-propyl-2-(propylamino)pentanenitrile

2-propyl-2-(propylamino)pentanenitrile (PubChem CID 28900772) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-propyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-propyl-2-(propylamino)pentanenitrile
PubChem CID28900772
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-propyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CCC)CCC
InChIInChI=1S/C11H22N2/c1-4-7-11(10-12,8-5-2)13-9-6-3/h13H,4-9H2,1-3H3
InChIKeyXOJIRNJUFWAVCW-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-propylpentanenitrile
CID 28899821
2-(cyclopropylmethylamino)-2-propylpentanenitrile
CID 60996496
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile
CID 106804355
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propylamino)pentanenitrile
CID 106805061
2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306
2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile
CID 106803371
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943
2-ethyl-5-(3-methylbutylsulfanyl)-2-(propylamino)pentanenitrile
CID 107755114
2-ethyl-2-(3-hydroxypropylamino)hexanenitrile
CID 63952049
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-(propylamino)pentanenitrile?
The IUPAC name of 2-propyl-2-(propylamino)pentanenitrile (CID 28900772) is 2-propyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-propyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-propyl-2-(propylamino)pentanenitrile is CCCNC(C#N)(CCC)CCC.
What is the InChIKey of 2-propyl-2-(propylamino)pentanenitrile?
The InChIKey is XOJIRNJUFWAVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-11(10-12,8-5-2)13-9-6-3/h13H,4-9H2,1-3H3.
What are the key properties of 2-propyl-2-(propylamino)pentanenitrile?
2-propyl-2-(propylamino)pentanenitrile has a molecular weight of 182.31 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 28900772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).