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

C12H23NO — CID 143589141

IUPAC2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane
SMILESCC1=CC(N(C)C)=C(O)CC1.CCC
InChIInChI=1S/C9H15NO.C3H8/c1-7-4-5-9(11)8(6-7)10(2)3;1-3-2/h6,11H,4-5H2,1-3H3;3H2,1-2H3
InChIKeyCYJIUQUFEJXQJY-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.47
Rot. Bonds1

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

2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane (PubChem CID 143589141) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane.

Molecular Properties

Compound Name2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane
PubChem CID143589141
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane
SMILESCC1=CC(N(C)C)=C(O)CC1.CCC
InChIInChI=1S/C9H15NO.C3H8/c1-7-4-5-9(11)8(6-7)10(2)3;1-3-2/h6,11H,4-5H2,1-3H3;3H2,1-2H3
InChIKeyCYJIUQUFEJXQJY-UHFFFAOYSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6Z,8Z)-10-(dimethylamino)undeca-1,6,8,10-tetraen-2-ol
CID 146537519
2-(Dimethylamino)-1-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-2-methylpropan-1-ol
CID 20672922
2-(Dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol
CID 143589142
3-(Diethylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 145694571

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane?
The IUPAC name of 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane (CID 143589141) is 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane.
What is the SMILES notation for 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane?
The canonical SMILES for 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane is CC1=CC(N(C)C)=C(O)CC1.CCC.
What is the InChIKey of 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane?
The InChIKey is CYJIUQUFEJXQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C3H8/c1-7-4-5-9(11)8(6-7)10(2)3;1-3-2/h6,11H,4-5H2,1-3H3;3H2,1-2H3.
What are the key properties of 2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane?
2-(dimethylamino)-4-methylcyclohexa-1,3-dien-1-ol;propane has a molecular weight of 197.32 g/mol, XLogP of 3.47, 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;propane is sourced from PubChem (CID 143589141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).