4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile

C14H27N3 — CID 63029660

IUPAC4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CCCCC1CC
InChIInChI=1S/C14H27N3/c1-3-9-16-13(12-15)8-11-17-10-6-5-7-14(17)4-2/h13-14,16H,3-11H2,1-2H3
InChIKeyOJYOWELLCJLMEW-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.53
Rot. Bonds7

About 4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile

4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile (PubChem CID 63029660) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile
PubChem CID63029660
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN1CCCCC1CC
InChIInChI=1S/C14H27N3/c1-3-9-16-13(12-15)8-11-17-10-6-5-7-14(17)4-2/h13-14,16H,3-11H2,1-2H3
InChIKeyOJYOWELLCJLMEW-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile
CID 63029460
4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine
CID 104689484
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63028152
1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 104692007
3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-2-(propylamino)propanenitrile
CID 114087379
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(propylamino)butanenitrile
CID 104968536
N-[2-(2-ethylazepan-1-yl)ethyl]pentan-2-amine
CID 113442007
4-(4-propan-2-ylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 103501849
4-(4-methylazepan-1-yl)-2-(propylamino)butanenitrile
CID 63622118
4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile
CID 63029842
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
CID 63028079
4-(2-ethylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 64797863

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile (CID 63029660) is 4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile is CCCNC(C#N)CCN1CCCCC1CC.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile?
The InChIKey is OJYOWELLCJLMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-9-16-13(12-15)8-11-17-10-6-5-7-14(17)4-2/h13-14,16H,3-11H2,1-2H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile?
4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile is sourced from PubChem (CID 63029660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).