2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol

C9H15NO — CID 143589142

IUPAC2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC(N(C)C)=C(O)CC1
InChIInChI=1S/C9H15NO/c1-7-4-5-9(11)8(6-7)10(2)3/h6,11H,4-5H2,1-3H3
InChIKeyOJFKUQWWCUDKOD-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.06
Rot. Bonds1

About 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol

2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol (PubChem CID 143589142) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol
PubChem CID143589142
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC(N(C)C)=C(O)CC1
InChIInChI=1S/C9H15NO/c1-7-4-5-9(11)8(6-7)10(2)3/h6,11H,4-5H2,1-3H3
InChIKeyOJFKUQWWCUDKOD-UHFFFAOYSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Dimethylaminomethylidene)-4-methylcyclohexa-1,3-dien-1-ol
CID 88243152
2-(Dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane
CID 143589141
(6Z,8Z)-10-(dimethylamino)undeca-1,6,8,10-tetraen-2-ol
CID 146537519
4-Methyl-2-(methylamino)-6-methylidenecyclohexa-1,3-dien-1-ol
CID 164094262

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol (CID 143589142) is 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol is CC1=CC(N(C)C)=C(O)CC1.
What is the InChIKey of 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is OJFKUQWWCUDKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-5-9(11)8(6-7)10(2)3/h6,11H,4-5H2,1-3H3.
What are the key properties of 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol?
2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 143589142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).