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

C13H25N3 — CID 63029460

IUPAC2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCCCC1CC
InChIInChI=1S/C13H25N3/c1-3-13-7-5-6-9-16(13)10-8-12(11-14)15-4-2/h12-13,15H,3-10H2,1-2H3
InChIKeyNCBRMBYDVACTID-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds6

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

2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile (PubChem CID 63029460) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile
PubChem CID63029460
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCCCC1CC
InChIInChI=1S/C13H25N3/c1-3-13-7-5-6-9-16(13)10-8-12(11-14)15-4-2/h12-13,15H,3-10H2,1-2H3
InChIKeyNCBRMBYDVACTID-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63029660
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
CID 63028079
2-(ethylamino)-4-(2-ethylpyrrolidin-1-yl)butan-1-ol
CID 64790783
2-(ethylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
CID 63634010
4-(2-ethylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 64797863
4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine
CID 104689484
2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
CID 63029058
N-[2-(2-ethylazepan-1-yl)ethyl]pentan-2-amine
CID 113442007
2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)butanenitrile
CID 79183421
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63028152

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile (CID 63029460) is 2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile is CCNC(C#N)CCN1CCCCC1CC.
What is the InChIKey of 2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile?
The InChIKey is NCBRMBYDVACTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-13-7-5-6-9-16(13)10-8-12(11-14)15-4-2/h12-13,15H,3-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile?
2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile has a molecular weight of 223.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 63029460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).