1-(6,7-dihydroquinolin-3-yl)propan-2-amine

C12H16N2 — CID 135245090

IUPAC1-(6,7-dihydroquinolin-3-yl)propan-2-amine
SMILESCC(N)Cc1cnc2c(c1)=CCCC=2
InChIInChI=1S/C12H16N2/c1-9(13)6-10-7-11-4-2-3-5-12(11)14-8-10/h4-5,7-9H,2-3,6,13H2,1H3
InChIKeyCBEXIHOOSYSVEZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.33
Rot. Bonds2

About 1-(6,7-dihydroquinolin-3-yl)propan-2-amine

1-(6,7-dihydroquinolin-3-yl)propan-2-amine (PubChem CID 135245090) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(6,7-dihydroquinolin-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6,7-dihydroquinolin-3-yl)propan-2-amine
PubChem CID135245090
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(6,7-dihydroquinolin-3-yl)propan-2-amine
SMILESCC(N)Cc1cnc2c(c1)=CCCC=2
InChIInChI=1S/C12H16N2/c1-9(13)6-10-7-11-4-2-3-5-12(11)14-8-10/h4-5,7-9H,2-3,6,13H2,1H3
InChIKeyCBEXIHOOSYSVEZ-UHFFFAOYSA-N
XLogP0.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6,7-dihydroquinolin-3-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydroquinolin-3-yl)propan-2-amine?
The IUPAC name of 1-(6,7-dihydroquinolin-3-yl)propan-2-amine (CID 135245090) is 1-(6,7-dihydroquinolin-3-yl)propan-2-amine.
What is the SMILES notation for 1-(6,7-dihydroquinolin-3-yl)propan-2-amine?
The canonical SMILES for 1-(6,7-dihydroquinolin-3-yl)propan-2-amine is CC(N)Cc1cnc2c(c1)=CCCC=2.
What is the InChIKey of 1-(6,7-dihydroquinolin-3-yl)propan-2-amine?
The InChIKey is CBEXIHOOSYSVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(13)6-10-7-11-4-2-3-5-12(11)14-8-10/h4-5,7-9H,2-3,6,13H2,1H3.
What are the key properties of 1-(6,7-dihydroquinolin-3-yl)propan-2-amine?
1-(6,7-dihydroquinolin-3-yl)propan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydroquinolin-3-yl)propan-2-amine is sourced from PubChem (CID 135245090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).