2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile

C17H22N4 — CID 102993201

IUPAC2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile
SMILESCCN(CCCN(C)C)c1nc2ccccc2cc1C#N
InChIInChI=1S/C17H22N4/c1-4-21(11-7-10-20(2)3)17-15(13-18)12-14-8-5-6-9-16(14)19-17/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeyZYJVEKFAQMMSCU-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.88
Rot. Bonds6

About 2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile

2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile (PubChem CID 102993201) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile
PubChem CID102993201
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile
SMILESCCN(CCCN(C)C)c1nc2ccccc2cc1C#N
InChIInChI=1S/C17H22N4/c1-4-21(11-7-10-20(2)3)17-15(13-18)12-14-8-5-6-9-16(14)19-17/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeyZYJVEKFAQMMSCU-UHFFFAOYSA-N
XLogP2.88
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107085501
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile
CID 79665644
2-[methyl(2-methylsulfanylethyl)amino]quinoline-3-carbonitrile
CID 112698455
2-[methyl(pent-4-enyl)amino]quinoline-3-carbonitrile
CID 115681023
2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile
CID 115681062
N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997412
N'-(2-chloroquinazolin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995601
4-[3-(dimethylamino)propyl-ethylamino]-2-(trifluoromethyl)benzonitrile
CID 102993184
3-[3-(dimethylamino)propyl]-N,N-dimethylquinolin-2-amine
CID 170866839
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
CID 102862336
N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine
CID 63392539

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile?
The IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile (CID 102993201) is 2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile is CCN(CCCN(C)C)c1nc2ccccc2cc1C#N.
What is the InChIKey of 2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile?
The InChIKey is ZYJVEKFAQMMSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-21(11-7-10-20(2)3)17-15(13-18)12-14-8-5-6-9-16(14)19-17/h5-6,8-9,12H,4,7,10-11H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile?
2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 102993201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).