2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol

C16H22N2O — CID 104881406

IUPAC2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc2ncccc2c1
InChIInChI=1S/C16H22N2O/c1-15(2,16(3,4)19)18-11-12-7-8-14-13(10-12)6-5-9-17-14/h5-10,18-19H,11H2,1-4H3
InChIKeyJORJXRPHOHDJPK-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.87
Rot. Bonds4

About 2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol

2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol (PubChem CID 104881406) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
PubChem CID104881406
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc2ncccc2c1
InChIInChI=1S/C16H22N2O/c1-15(2,16(3,4)19)18-11-12-7-8-14-13(10-12)6-5-9-17-14/h5-10,18-19H,11H2,1-4H3
InChIKeyJORJXRPHOHDJPK-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
CID 113234424
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
CID 104881409
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
(3S)-3,5-dimethyl-N-(quinolin-6-ylmethyl)hex-1-yn-3-amine
CID 45104223
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
(2S)-2-cyclobutyl-N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 45104224
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol
CID 103993618
3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911833

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol (CID 104881406) is 2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol is CC(C)(O)C(C)(C)NCc1ccc2ncccc2c1.
What is the InChIKey of 2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol?
The InChIKey is JORJXRPHOHDJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-15(2,16(3,4)19)18-11-12-7-8-14-13(10-12)6-5-9-17-14/h5-10,18-19H,11H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol?
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol has a molecular weight of 258.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol is sourced from PubChem (CID 104881406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).