3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol

C15H27NO — CID 71286528

IUPAC3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol
SMILESCCC(CCN(C)C)CC1=CC(O)C(C)C=C1
InChIInChI=1S/C15H27NO/c1-5-13(8-9-16(3)4)10-14-7-6-12(2)15(17)11-14/h6-7,11-13,15,17H,5,8-10H2,1-4H3
InChIKeyDGBFAYYOXFVCBV-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.85
Rot. Bonds6

About 3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol

3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 71286528) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID71286528
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol
SMILESCCC(CCN(C)C)CC1=CC(O)C(C)C=C1
InChIInChI=1S/C15H27NO/c1-5-13(8-9-16(3)4)10-14-7-6-12(2)15(17)11-14/h6-7,11-13,15,17H,5,8-10H2,1-4H3
InChIKeyDGBFAYYOXFVCBV-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol (CID 71286528) is 3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol is CCC(CCN(C)C)CC1=CC(O)C(C)C=C1.
What is the InChIKey of 3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is DGBFAYYOXFVCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-13(8-9-16(3)4)10-14-7-6-12(2)15(17)11-14/h6-7,11-13,15,17H,5,8-10H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol?
3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 71286528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).