3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol

C14H18N2O — CID 112753988

IUPAC3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
SMILESCC(C)(N)CC(O)c1ccc2ncccc2c1
InChIInChI=1S/C14H18N2O/c1-14(2,15)9-13(17)11-5-6-12-10(8-11)4-3-7-16-12/h3-8,13,17H,9,15H2,1-2H3
InChIKeyRSPVNOUFZAKCAG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.40
Rot. Bonds3

About 3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol

3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol (PubChem CID 112753988) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol.

Molecular Properties

Compound Name3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
PubChem CID112753988
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
SMILESCC(C)(N)CC(O)c1ccc2ncccc2c1
InChIInChI=1S/C14H18N2O/c1-14(2,15)9-13(17)11-5-6-12-10(8-11)4-3-7-16-12/h3-8,13,17H,9,15H2,1-2H3
InChIKeyRSPVNOUFZAKCAG-UHFFFAOYSA-N
XLogP2.40
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-quinolin-6-ylpropan-1-ol
CID 66038103
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
CID 63095266
(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol
CID 86586613
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311
2-methyl-2-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
CID 81219930
methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
CID 63969521
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol?
The IUPAC name of 3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol (CID 112753988) is 3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol.
What is the SMILES notation for 3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol?
The canonical SMILES for 3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol is CC(C)(N)CC(O)c1ccc2ncccc2c1.
What is the InChIKey of 3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol?
The InChIKey is RSPVNOUFZAKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,15)9-13(17)11-5-6-12-10(8-11)4-3-7-16-12/h3-8,13,17H,9,15H2,1-2H3.
What are the key properties of 3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol?
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol is sourced from PubChem (CID 112753988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).