2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile

C15H27N3 — CID 103501799

IUPAC2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
SMILESCC(C)C1CCN(CC(C)(C#N)NC2CC2)CC1
InChIInChI=1S/C15H27N3/c1-12(2)13-6-8-18(9-7-13)11-15(3,10-16)17-14-4-5-14/h12-14,17H,4-9,11H2,1-3H3
InChIKeyFRIHODPACYBBCH-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.39
Rot. Bonds5

About 2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile

2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile (PubChem CID 103501799) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
PubChem CID103501799
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
SMILESCC(C)C1CCN(CC(C)(C#N)NC2CC2)CC1
InChIInChI=1S/C15H27N3/c1-12(2)13-6-8-18(9-7-13)11-15(3,10-16)17-14-4-5-14/h12-14,17H,4-9,11H2,1-3H3
InChIKeyFRIHODPACYBBCH-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
CID 62206650
2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 103925448
4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64726696
2-(cyclopropylamino)-2-methyl-4-propoxypentanenitrile
CID 64726414
2-(cyclopropylamino)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropanenitrile
CID 63193244
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanenitrile
CID 64727725
2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile
CID 63634879
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
CID 63622116
2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile
CID 82694605
2-(cyclopropylamino)-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 64725488
2-(cyclopentylamino)-2,5-dimethylhexanenitrile
CID 61002466
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64698955

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile (CID 103501799) is 2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile is CC(C)C1CCN(CC(C)(C#N)NC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile?
The InChIKey is FRIHODPACYBBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)13-6-8-18(9-7-13)11-15(3,10-16)17-14-4-5-14/h12-14,17H,4-9,11H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile?
2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile has a molecular weight of 249.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 103501799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).