1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine

C12H19NO — CID 143224153

IUPAC1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine
SMILESCOC1=CC=CC(C(C)N(C)C)=CC1
InChIInChI=1S/C12H19NO/c1-10(13(2)3)11-6-5-7-12(14-4)9-8-11/h5-8,10H,9H2,1-4H3
InChIKeyBMXJXVUSRSXUKF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds3

About 1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine

1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine (PubChem CID 143224153) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine
PubChem CID143224153
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine
SMILESCOC1=CC=CC(C(C)N(C)C)=CC1
InChIInChI=1S/C12H19NO/c1-10(13(2)3)11-6-5-7-12(14-4)9-8-11/h5-8,10H,9H2,1-4H3
InChIKeyBMXJXVUSRSXUKF-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethyl-7-fluorocyclohepta-1,3,5-trien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 143437546
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
CID 89688747
N,N-dimethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)oxypropan-1-amine
CID 141976005
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
N-ethyl-N-methylformamide;1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine
CID 143224152
2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 163914886
(7E)-7-[(Z)-but-2-enylidene]-3-methyl-4,8-dihydro-2H-1,3-benzoxazine
CID 166969375
1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine
CID 45091076
(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 143074213

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine (CID 143224153) is 1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine is COC1=CC=CC(C(C)N(C)C)=CC1.
What is the InChIKey of 1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine?
The InChIKey is BMXJXVUSRSXUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(13(2)3)11-6-5-7-12(14-4)9-8-11/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine?
1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 143224153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).