2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol

C12H19NO — CID 143126491

IUPAC2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol
SMILESCC1CC(C)(C)NC2C(O)=CC=CC12
InChIInChI=1S/C12H19NO/c1-8-7-12(2,3)13-11-9(8)5-4-6-10(11)14/h4-6,8-9,11,13-14H,7H2,1-3H3
InChIKeySWYORRXBSALOFZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.39
Rot. Bonds

About 2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol

2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol (PubChem CID 143126491) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol
PubChem CID143126491
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol
SMILESCC1CC(C)(C)NC2C(O)=CC=CC12
InChIInChI=1S/C12H19NO/c1-8-7-12(2,3)13-11-9(8)5-4-6-10(11)14/h4-6,8-9,11,13-14H,7H2,1-3H3
InChIKeySWYORRXBSALOFZ-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol?
The IUPAC name of 2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol (CID 143126491) is 2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol.
What is the SMILES notation for 2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol?
The canonical SMILES for 2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol is CC1CC(C)(C)NC2C(O)=CC=CC12.
What is the InChIKey of 2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol?
The InChIKey is SWYORRXBSALOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-7-12(2,3)13-11-9(8)5-4-6-10(11)14/h4-6,8-9,11,13-14H,7H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol?
2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol has a molecular weight of 193.29 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3,4,4a,8a-tetrahydro-1H-quinolin-8-ol is sourced from PubChem (CID 143126491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).