2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile

C15H27N3 — CID 63912194

IUPAC2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN1CCCC(C)C1)C1CC1
InChIInChI=1S/C15H27N3/c1-3-8-17-15(11-16,14-6-7-14)12-18-9-4-5-13(2)10-18/h13-14,17H,3-10,12H2,1-2H3
InChIKeyWBXGMIDAYIMRHM-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.39
Rot. Bonds6

About 2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile

2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile (PubChem CID 63912194) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
PubChem CID63912194
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN1CCCC(C)C1)C1CC1
InChIInChI=1S/C15H27N3/c1-3-8-17-15(11-16,14-6-7-14)12-18-9-4-5-13(2)10-18/h13-14,17H,3-10,12H2,1-2H3
InChIKeyWBXGMIDAYIMRHM-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(4-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913937
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylpyrrolidin-1-yl)propanenitrile
CID 63914415
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394663
2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913581
2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile
CID 102745431
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63913340
2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile
CID 65282324
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(methylamino)propanenitrile
CID 79184284
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 79934812
2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile
CID 63912507
2-cyclopropyl-3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63928067
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile (CID 63912194) is 2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile is CCCNC(C#N)(CN1CCCC(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The InChIKey is WBXGMIDAYIMRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-8-17-15(11-16,14-6-7-14)12-18-9-4-5-13(2)10-18/h13-14,17H,3-10,12H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile has a molecular weight of 249.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile is sourced from PubChem (CID 63912194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).