2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile

C14H25N3 — CID 63028154

IUPAC2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile
SMILESCC1CCN(CCC(C#N)NC2CC2)C(C)C1
InChIInChI=1S/C14H25N3/c1-11-5-7-17(12(2)9-11)8-6-14(10-15)16-13-3-4-13/h11-14,16H,3-9H2,1-2H3
InChIKeyXJZZPXPZUAMCDZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.14
Rot. Bonds5

About 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile

2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile (PubChem CID 63028154) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile
PubChem CID63028154
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile
SMILESCC1CCN(CCC(C#N)NC2CC2)C(C)C1
InChIInChI=1S/C14H25N3/c1-11-5-7-17(12(2)9-11)8-6-14(10-15)16-13-3-4-13/h11-14,16H,3-9H2,1-2H3
InChIKeyXJZZPXPZUAMCDZ-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylpiperidin-1-yl)-N-methylbutan-2-amine
CID 62330145
2-amino-4-(2,4-dimethylpiperidin-1-yl)butan-1-ol
CID 64787601
5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol
CID 62330381
2-(cyclopropylamino)-4-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)butanenitrile
CID 103198058
2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile
CID 62332365
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanenitrile
CID 113336073
2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile
CID 63165674
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
CID 63028079
4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine
CID 81080026
2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile
CID 63028108
2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64788184
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile (CID 63028154) is 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile is CC1CCN(CCC(C#N)NC2CC2)C(C)C1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile?
The InChIKey is XJZZPXPZUAMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-5-7-17(12(2)9-11)8-6-14(10-15)16-13-3-4-13/h11-14,16H,3-9H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile?
2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile has a molecular weight of 235.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,4-dimethylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 63028154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).