(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol

C15H24N2O — CID 80649071

IUPAC(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NCc1cccc2c1NCCC2
InChIInChI=1S/C15H24N2O/c1-11(2)14(10-18)17-9-13-6-3-5-12-7-4-8-16-15(12)13/h3,5-6,11,14,16-18H,4,7-10H2,1-2H3/t14-/m1/s1
InChIKeyLBUYXECYXMSONW-CQSZACIVSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds5

About (2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol

(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol (PubChem CID 80649071) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol
PubChem CID80649071
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NCc1cccc2c1NCCC2
InChIInChI=1S/C15H24N2O/c1-11(2)14(10-18)17-9-13-6-3-5-12-7-4-8-16-15(12)13/h3,5-6,11,14,16-18H,4,7-10H2,1-2H3/t14-/m1/s1
InChIKeyLBUYXECYXMSONW-CQSZACIVSA-N
XLogP2.15
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol (CID 80649071) is (2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol is CC(C)[C@@H](CO)NCc1cccc2c1NCCC2.
What is the InChIKey of (2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol?
The InChIKey is LBUYXECYXMSONW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)14(10-18)17-9-13-6-3-5-12-7-4-8-16-15(12)13/h3,5-6,11,14,16-18H,4,7-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol?
(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol is sourced from PubChem (CID 80649071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).