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

C11H21N3 — CID 63028079

IUPAC2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCCC1C
InChIInChI=1S/C11H21N3/c1-3-13-11(9-12)6-8-14-7-4-5-10(14)2/h10-11,13H,3-8H2,1-2H3
InChIKeyZTJLGZYEJNVSEH-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.36
Rot. Bonds5

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

2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile (PubChem CID 63028079) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
PubChem CID63028079
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
SMILESCCNC(C#N)CCN1CCCC1C
InChIInChI=1S/C11H21N3/c1-3-13-11(9-12)6-8-14-7-4-5-10(14)2/h10-11,13H,3-8H2,1-2H3
InChIKeyZTJLGZYEJNVSEH-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile
CID 63029460
2-(ethylamino)-4-(3-methylpiperidin-1-yl)butanenitrile
CID 63029058
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63028152
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)butanenitrile
CID 79183421
2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
CID 63027395
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(propylamino)butanenitrile
CID 104968536
4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63029660
2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile
CID 114539184
2-(ethylamino)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile
CID 66371946
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985
N-ethyl-1-(2-methylpyrrolidin-1-yl)pentan-2-amine
CID 62042499
2-amino-4-(2-methylpyrrolidin-1-yl)butan-1-ol
CID 64791163

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile?
The IUPAC name of 2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile (CID 63028079) is 2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile is CCNC(C#N)CCN1CCCC1C.
What is the InChIKey of 2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile?
The InChIKey is ZTJLGZYEJNVSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-13-11(9-12)6-8-14-7-4-5-10(14)2/h10-11,13H,3-8H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile?
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile is sourced from PubChem (CID 63028079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).