2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol

C11H19NO — CID 134376274

IUPAC2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol
SMILESCC1=CCC(C)C(N(C)CCO)=C1
InChIInChI=1S/C11H19NO/c1-9-4-5-10(2)11(8-9)12(3)6-7-13/h4,8,10,13H,5-7H2,1-3H3
InChIKeyAKTHQXMEWDNKES-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.78
Rot. Bonds3

About 2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol

2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol (PubChem CID 134376274) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol
PubChem CID134376274
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol
SMILESCC1=CCC(C)C(N(C)CCO)=C1
InChIInChI=1S/C11H19NO/c1-9-4-5-10(2)11(8-9)12(3)6-7-13/h4,8,10,13H,5-7H2,1-3H3
InChIKeyAKTHQXMEWDNKES-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol?
The IUPAC name of 2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol (CID 134376274) is 2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol is CC1=CCC(C)C(N(C)CCO)=C1.
What is the InChIKey of 2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol?
The InChIKey is AKTHQXMEWDNKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-4-5-10(2)11(8-9)12(3)6-7-13/h4,8,10,13H,5-7H2,1-3H3.
What are the key properties of 2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol?
2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol has a molecular weight of 181.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol is sourced from PubChem (CID 134376274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).