2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine

C11H19NO — CID 57089492

IUPAC2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine
SMILESCOC1CC=CC=C1CCN(C)C
InChIInChI=1S/C11H19NO/c1-12(2)9-8-10-6-4-5-7-11(10)13-3/h4-6,11H,7-9H2,1-3H3
InChIKeyQNSAWAORGOXHCQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds4

About 2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine

2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 57089492) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine
PubChem CID57089492
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine
SMILESCOC1CC=CC=C1CCN(C)C
InChIInChI=1S/C11H19NO/c1-12(2)9-8-10-6-4-5-7-11(10)13-3/h4-6,11H,7-9H2,1-3H3
InChIKeyQNSAWAORGOXHCQ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-methoxyethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442221
4-(3-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,N,2,2-tetramethylbutan-1-amine
CID 70790884
N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
CID 89122683
2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine
CID 91524542
N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine
CID 137428971
N-hexyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hexan-1-amine
CID 138518670
N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-3-methylbutan-1-amine
CID 138519062
6-Methoxy-2-methyl-1,3,4,5,6,7-hexahydro-2-benzazepine
CID 141872523
(3Z,8E)-1-ethyl-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515518
(3Z,8E)-7-methoxy-1,3-dimethyl-1-azacyclotetradeca-3,8-diene
CID 144515557
N,N-dimethyl-2-[(6E)-8-(2-methylpropoxy)cycloocta-1,6-dien-1-yl]ethanamine
CID 174194529
4-(5-methoxycyclohexa-1,3-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 175756671

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine (CID 57089492) is 2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine is COC1CC=CC=C1CCN(C)C.
What is the InChIKey of 2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is QNSAWAORGOXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12(2)9-8-10-6-4-5-7-11(10)13-3/h4-6,11H,7-9H2,1-3H3.
What are the key properties of 2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine?
2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 57089492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).