2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol

C16H22N2O — CID 103993618

IUPAC2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1cccc2cccnc12
InChIInChI=1S/C16H22N2O/c1-15(2,16(3,4)19)18-11-13-8-5-7-12-9-6-10-17-14(12)13/h5-10,18-19H,11H2,1-4H3
InChIKeyCFSLYKKJDFJAGQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.87
Rot. Bonds4

About 2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol

2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol (PubChem CID 103993618) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol
PubChem CID103993618
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1cccc2cccnc12
InChIInChI=1S/C16H22N2O/c1-15(2,16(3,4)19)18-11-13-8-5-7-12-9-6-10-17-14(12)13/h5-10,18-19H,11H2,1-4H3
InChIKeyCFSLYKKJDFJAGQ-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-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
CID 43619541
3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427105
N-(quinolin-8-ylmethyl)aniline
CID 28610045
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
8-(2-methylprop-2-enyl)quinoline
CID 142452195
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81426473
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
tert-butyl 3-(quinolin-8-ylmethylamino)propanoate
CID 103700021
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol (CID 103993618) is 2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol is CC(C)(O)C(C)(C)NCc1cccc2cccnc12.
What is the InChIKey of 2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol?
The InChIKey is CFSLYKKJDFJAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-15(2,16(3,4)19)18-11-13-8-5-7-12-9-6-10-17-14(12)13/h5-10,18-19H,11H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(quinolin-8-ylmethylamino)butan-2-ol?
2,3-dimethyl-3-(quinolin-8-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-8-ylmethylamino)butan-2-ol is sourced from PubChem (CID 103993618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).