(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine

C10H14N2 — CID 96558902

IUPAC(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
SMILESCN[C@@H]1CNc2ccccc2C1
InChIInChI=1S/C10H14N2/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2-5,9,11-12H,6-7H2,1H3/t9-/m0/s1
InChIKeyIQDMUSPYIULEGD-VIFPVBQESA-N
MW162.24 g/mol
LogP1.24
Rot. Bonds1

About (3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine

(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine (PubChem CID 96558902) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
PubChem CID96558902
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
SMILESCN[C@@H]1CNc2ccccc2C1
InChIInChI=1S/C10H14N2/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2-5,9,11-12H,6-7H2,1H3/t9-/m0/s1
InChIKeyIQDMUSPYIULEGD-VIFPVBQESA-N
XLogP1.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105454816
N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine
CID 105491661
N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
CID 18177121
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
CID 130638230
ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
CID 19697803
4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 43823004
3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 155943544
5-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)oxolane-3-carboxamide
CID 114824868
2-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)piperidine-1-sulfonamide
CID 43109899
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 18070930
3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
CID 118462093

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine?
The IUPAC name of (3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine (CID 96558902) is (3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine.
What is the SMILES notation for (3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine?
The canonical SMILES for (3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine is CN[C@@H]1CNc2ccccc2C1.
What is the InChIKey of (3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine?
The InChIKey is IQDMUSPYIULEGD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2-5,9,11-12H,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine?
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine has a molecular weight of 162.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine is sourced from PubChem (CID 96558902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).