(3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine

C12H18N2 — CID 130731304

IUPAC(3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine
SMILESCC(C)c1cccc2c1C[C@H](N)CN2
InChIInChI=1S/C12H18N2/c1-8(2)10-4-3-5-12-11(10)6-9(13)7-14-12/h3-5,8-9,14H,6-7,13H2,1-2H3/t9-/m0/s1
InChIKeyPVZXRAITROJJFW-VIFPVBQESA-N
MW190.29 g/mol
LogP2.11
Rot. Bonds1

About (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine

(3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine (PubChem CID 130731304) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine.

Molecular Properties

Compound Name(3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine
PubChem CID130731304
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine
SMILESCC(C)c1cccc2c1C[C@H](N)CN2
InChIInChI=1S/C12H18N2/c1-8(2)10-4-3-5-12-11(10)6-9(13)7-14-12/h3-5,8-9,14H,6-7,13H2,1-2H3/t9-/m0/s1
InChIKeyPVZXRAITROJJFW-VIFPVBQESA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-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 (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine?
The IUPAC name of (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine (CID 130731304) is (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine.
What is the SMILES notation for (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine?
The canonical SMILES for (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine is CC(C)c1cccc2c1C[C@H](N)CN2.
What is the InChIKey of (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine?
The InChIKey is PVZXRAITROJJFW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2/c1-8(2)10-4-3-5-12-11(10)6-9(13)7-14-12/h3-5,8-9,14H,6-7,13H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine?
(3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine is sourced from PubChem (CID 130731304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).