3-(2H-quinolin-1-yl)propan-1-amine

C12H16N2 — CID 150712168

IUPAC3-(2H-quinolin-1-yl)propan-1-amine
SMILESNCCCN1CC=Cc2ccccc21
InChIInChI=1S/C12H16N2/c13-8-4-10-14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7H,4,8-10,13H2
InChIKeyJOCUUQLIFSMLFW-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.87
Rot. Bonds3

About 3-(2H-quinolin-1-yl)propan-1-amine

3-(2H-quinolin-1-yl)propan-1-amine (PubChem CID 150712168) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(2H-quinolin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2H-quinolin-1-yl)propan-1-amine
PubChem CID150712168
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-(2H-quinolin-1-yl)propan-1-amine
SMILESNCCCN1CC=Cc2ccccc21
InChIInChI=1S/C12H16N2/c13-8-4-10-14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7H,4,8-10,13H2
InChIKeyJOCUUQLIFSMLFW-UHFFFAOYSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

iridium;1-pentyl-2H-quinoline
CID 157228935
1-butyl-2H-quinoline;hexafluoroantimony(1-)
CID 175158891
2-(2H-quinolin-1-yl)ethyl formate
CID 174470598
2H-quinolin-1-amine;dihydrochloride
CID 141446111
1-methyl-2H-quinoline;hydrate;dihydroiodide
CID 174675157
2-(2H-quinolin-1-yl)acetic acid;sulfuric acid
CID 175129650
3-(3-phenyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 154295014
hexafluoroantimony(1-);1-phenyl-2-(2H-quinolin-1-yl)ethanone
CID 175158866
4-(2H-quinolin-1-yl)cyclohexan-1-amine
CID 175883246
2-methyl-1H-isoquinoline;1-methyl-2H-quinoline
CID 161281450
1-(2-propan-2-ylphenyl)-2H-quinoline
CID 141304438
1-[(3-decoxyphenyl)methyl]-2H-quinoline
CID 141407473

Frequently Asked Questions

What is the IUPAC name of 3-(2H-quinolin-1-yl)propan-1-amine?
The IUPAC name of 3-(2H-quinolin-1-yl)propan-1-amine (CID 150712168) is 3-(2H-quinolin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2H-quinolin-1-yl)propan-1-amine?
The canonical SMILES for 3-(2H-quinolin-1-yl)propan-1-amine is NCCCN1CC=Cc2ccccc21.
What is the InChIKey of 3-(2H-quinolin-1-yl)propan-1-amine?
The InChIKey is JOCUUQLIFSMLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-8-4-10-14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7H,4,8-10,13H2.
What are the key properties of 3-(2H-quinolin-1-yl)propan-1-amine?
3-(2H-quinolin-1-yl)propan-1-amine has a molecular weight of 188.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-quinolin-1-yl)propan-1-amine is sourced from PubChem (CID 150712168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).