3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol

C15H20N2O — CID 115630613

IUPAC3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
SMILESCC(C)C(O)CNCc1ccc2ncccc2c1
InChIInChI=1S/C15H20N2O/c1-11(2)15(18)10-16-9-12-5-6-14-13(8-12)4-3-7-17-14/h3-8,11,15-16,18H,9-10H2,1-2H3
InChIKeyONQAFHYTGJFJOR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.34
Rot. Bonds5

About 3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol

3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol (PubChem CID 115630613) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
PubChem CID115630613
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
SMILESCC(C)C(O)CNCc1ccc2ncccc2c1
InChIInChI=1S/C15H20N2O/c1-11(2)15(18)10-16-9-12-5-6-14-13(8-12)4-3-7-17-14/h3-8,11,15-16,18H,9-10H2,1-2H3
InChIKeyONQAFHYTGJFJOR-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63966499
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
N-ethyl-N-methyl-2-(quinolin-6-ylmethylamino)acetamide
CID 104923508
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
4,4-dimethyl-3-(quinolin-6-ylmethylamino)pentan-1-ol
CID 104881409
N,N-dimethyl-2-(quinolin-6-ylmethylamino)propanamide
CID 61464425
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol?
The IUPAC name of 3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol (CID 115630613) is 3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol?
The canonical SMILES for 3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol is CC(C)C(O)CNCc1ccc2ncccc2c1.
What is the InChIKey of 3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol?
The InChIKey is ONQAFHYTGJFJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)15(18)10-16-9-12-5-6-14-13(8-12)4-3-7-17-14/h3-8,11,15-16,18H,9-10H2,1-2H3.
What are the key properties of 3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol?
3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol has a molecular weight of 244.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol is sourced from PubChem (CID 115630613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).