2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine

C11H19NO — CID 91524542

IUPAC2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCOC1C=CC=CC1CCN(C)C
InChIInChI=1S/C11H19NO/c1-12(2)9-8-10-6-4-5-7-11(10)13-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYIBBCEZELOZBFP-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.70
Rot. Bonds4

About 2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine

2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 91524542) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine
PubChem CID91524542
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCOC1C=CC=CC1CCN(C)C
InChIInChI=1S/C11H19NO/c1-12(2)9-8-10-6-4-5-7-11(10)13-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYIBBCEZELOZBFP-UHFFFAOYSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-1-[[6-methyl-5-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methyl]piperidine
CID 164135806
2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine
CID 57089492
4-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,N,2,2-tetramethylbutan-1-amine
CID 70790884
2-(6-Methoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 118124509
N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-3-methylbutan-1-amine
CID 138519062
N-[(4-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methyl]-N-propylbutan-1-amine
CID 138519215
(5Z)-7-methoxy-N,N,3-trimethyl-4-methylideneocta-5,7-dien-1-amine
CID 156728076
4-(Cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpiperidine
CID 176015690
1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine
CID 45091339
1-methyl-4-[[(3Z,5Z)-5-methylocta-3,5,7-trien-2-yl]oxymethyl]piperidine
CID 144334163

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine (CID 91524542) is 2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine is COC1C=CC=CC1CCN(C)C.
What is the InChIKey of 2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is YIBBCEZELOZBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12(2)9-8-10-6-4-5-7-11(10)13-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine?
2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 91524542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).