(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol

C11H17NO — CID 154386511

IUPAC(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
SMILESCN1CCCC2CC(CO)=CC=C21
InChIInChI=1S/C11H17NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,10,13H,2-3,6-8H2,1H3
InChIKeyLSPHSPGREHRTHA-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.53
Rot. Bonds1

About (1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol

(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol (PubChem CID 154386511) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
PubChem CID154386511
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
SMILESCN1CCCC2CC(CO)=CC=C21
InChIInChI=1S/C11H17NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,10,13H,2-3,6-8H2,1H3
InChIKeyLSPHSPGREHRTHA-UHFFFAOYSA-N
XLogP1.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6,7-dihydroxyoctahydrobenzo(g)quinoline
CID 134386
n-Propyl-6-hydroxy-octahydrobenzo(g)quinoline
CID 129668328
N-hydroxyhexyltetrahydroquinoline
CID 67859558
bis(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
CID 70542858
2-[(3Z)-5-hydroxypenta-1,3-dien-2-yl]-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-1,6-diol
CID 88987189
2-[1-(4-Methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]ethanol
CID 143067090
1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol
CID 150112405
7-(Hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol
CID 163418325
2-Methyl-1,3,3a,4,5,9b-hexahydrobenzo[de]isoquinoline-1,3-diol
CID 163631578
2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinolin-6-ol
CID 12228902

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol?
The IUPAC name of (1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol (CID 154386511) is (1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol.
What is the SMILES notation for (1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol?
The canonical SMILES for (1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol is CN1CCCC2CC(CO)=CC=C21.
What is the InChIKey of (1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol?
The InChIKey is LSPHSPGREHRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,10,13H,2-3,6-8H2,1H3.
What are the key properties of (1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol?
(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol has a molecular weight of 179.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol is sourced from PubChem (CID 154386511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).