2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile

C13H17N3 — CID 63028093

IUPAC2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
SMILESN#CC(N)CCN1CCCc2ccccc21
InChIInChI=1S/C13H17N3/c14-10-12(15)7-9-16-8-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,12H,3,5,7-9,15H2
InChIKeyLDVBAOQVBHJOBA-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile

2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile (PubChem CID 63028093) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
PubChem CID63028093
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
SMILESN#CC(N)CCN1CCCc2ccccc21
InChIInChI=1S/C13H17N3/c14-10-12(15)7-9-16-8-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,12H,3,5,7-9,15H2
InChIKeyLDVBAOQVBHJOBA-UHFFFAOYSA-N
XLogP1.68
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
CID 55142937
1-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64820971
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 62629564
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile
CID 63028473
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62643201
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 62618632
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile?
The IUPAC name of 2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile (CID 63028093) is 2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile.
What is the SMILES notation for 2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile?
The canonical SMILES for 2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile is N#CC(N)CCN1CCCc2ccccc21.
What is the InChIKey of 2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile?
The InChIKey is LDVBAOQVBHJOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-10-12(15)7-9-16-8-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,12H,3,5,7-9,15H2.
What are the key properties of 2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile?
2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile has a molecular weight of 215.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile is sourced from PubChem (CID 63028093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).