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

C16H21N3 — CID 55142937

IUPAC2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
SMILESN#CC(CCN1CCCc2ccccc21)NC1CC1
InChIInChI=1S/C16H21N3/c17-12-15(18-14-7-8-14)9-11-19-10-3-5-13-4-1-2-6-16(13)19/h1-2,4,6,14-15,18H,3,5,7-11H2
InChIKeyGUNMOHLXDPNHHK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.47
Rot. Bonds5

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

2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile (PubChem CID 55142937) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
PubChem CID55142937
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
SMILESN#CC(CCN1CCCc2ccccc21)NC1CC1
InChIInChI=1S/C16H21N3/c17-12-15(18-14-7-8-14)9-11-19-10-3-5-13-4-1-2-6-16(13)19/h1-2,4,6,14-15,18H,3,5,7-11H2
InChIKeyGUNMOHLXDPNHHK-UHFFFAOYSA-N
XLogP2.47
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
CID 63028093
4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile
CID 63028473
1-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64820971
N-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]cyclopropanamine
CID 55069946
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
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
4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63028861
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
[(3R)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-3-yl]methanol
CID 99108244
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile (CID 55142937) is 2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile is N#CC(CCN1CCCc2ccccc21)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile?
The InChIKey is GUNMOHLXDPNHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-12-15(18-14-7-8-14)9-11-19-10-3-5-13-4-1-2-6-16(13)19/h1-2,4,6,14-15,18H,3,5,7-11H2.
What are the key properties of 2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile?
2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile has a molecular weight of 255.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile is sourced from PubChem (CID 55142937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).