1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol

C13H21NO — CID 152751339

IUPAC1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCCC2CC=CC=C21
InChIInChI=1S/C13H21NO/c1-2-12(15)10-14-9-5-7-11-6-3-4-8-13(11)14/h3-4,8,11-12,15H,2,5-7,9-10H2,1H3
InChIKeyCYZWCPJYSXFLOU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.31
Rot. Bonds3

About 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol

1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol (PubChem CID 152751339) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol
PubChem CID152751339
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCCC2CC=CC=C21
InChIInChI=1S/C13H21NO/c1-2-12(15)10-14-9-5-7-11-6-3-4-8-13(11)14/h3-4,8,11-12,15H,2,5-7,9-10H2,1H3
InChIKeyCYZWCPJYSXFLOU-UHFFFAOYSA-N
XLogP2.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Cyclohexen-1-ylmethyl)-3-piperidinol
CID 2845911
N-(2'-hydroxyethyl)tetrahydroquinoline
CID 67831453
1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium
CID 59233349
2-(2,2,4,7-Tetramethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
CID 67684752
1-(2,2,4-Trimethyl-3,4,4a,5-tetrahydroquinolin-1-yl)ethanol
CID 67732797
N-hydroxyhexyltetrahydroquinoline
CID 67859558
(3R,4R)-4-cyclohexa-2,4-dien-1-yl-1-methylpiperidin-3-ol
CID 68028749
2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 68757422
3-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)prop-1-en-1-ol
CID 70630584
N-beta-hydroxyethyl-2,2,4-trimethyltetrahydroquinoline
CID 70635991
1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol
CID 70637382
1-(3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)butan-2-ol
CID 123453481

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol?
The IUPAC name of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol (CID 152751339) is 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol.
What is the SMILES notation for 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol?
The canonical SMILES for 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol is CCC(O)CN1CCCC2CC=CC=C21.
What is the InChIKey of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol?
The InChIKey is CYZWCPJYSXFLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-12(15)10-14-9-5-7-11-6-3-4-8-13(11)14/h3-4,8,11-12,15H,2,5-7,9-10H2,1H3.
What are the key properties of 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol?
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol is sourced from PubChem (CID 152751339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).