2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol

C12H21NO — CID 170020461

IUPAC2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol
SMILESCC1=CC=CC(C)(C(O)CN(C)C)C1
InChIInChI=1S/C12H21NO/c1-10-6-5-7-12(2,8-10)11(14)9-13(3)4/h5-7,11,14H,8-9H2,1-4H3
InChIKeyYKGUXYMGDZMJTO-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds3

About 2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol

2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 170020461) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol
PubChem CID170020461
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol
SMILESCC1=CC=CC(C)(C(O)CN(C)C)C1
InChIInChI=1S/C12H21NO/c1-10-6-5-7-12(2,8-10)11(14)9-13(3)4/h5-7,11,14H,8-9H2,1-4H3
InChIKeyYKGUXYMGDZMJTO-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol (CID 170020461) is 2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol is CC1=CC=CC(C)(C(O)CN(C)C)C1.
What is the InChIKey of 2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is YKGUXYMGDZMJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-6-5-7-12(2,8-10)11(14)9-13(3)4/h5-7,11,14H,8-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol?
2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 195.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 170020461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).