6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine

C12H17NO — CID 123475527

IUPAC6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
SMILESC=c1cc(OC)cc(N(C)C)c1=CC
InChIInChI=1S/C12H17NO/c1-6-11-9(2)7-10(14-5)8-12(11)13(3)4/h6-8H,2H2,1,3-5H3
InChIKeyUBAAOIMZQKSLPB-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.97
Rot. Bonds2

About 6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine

6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine (PubChem CID 123475527) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
PubChem CID123475527
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
SMILESC=c1cc(OC)cc(N(C)C)c1=CC
InChIInChI=1S/C12H17NO/c1-6-11-9(2)7-10(14-5)8-12(11)13(3)4/h6-8H,2H2,1,3-5H3
InChIKeyUBAAOIMZQKSLPB-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 134935258
1-(2-Methoxy-3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
CID 68381378
3-methoxy-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 89569363
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
2-(2-Methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine
CID 123572370
4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine
CID 123877489
5-Methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine
CID 129083849
2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine
CID 129214836
6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine
CID 130420897
(2E,4Z)-N-butan-2-yl-6-methoxy-N-[(5-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 138519234
(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
CID 138633519
(4E)-3-methyl-2,5-dimethylidene-4-prop-2-enylidene-1,3-benzoxazole
CID 141801482

Frequently Asked Questions

What is the IUPAC name of 6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine (CID 123475527) is 6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine is C=c1cc(OC)cc(N(C)C)c1=CC.
What is the InChIKey of 6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine?
The InChIKey is UBAAOIMZQKSLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-6-11-9(2)7-10(14-5)8-12(11)13(3)4/h6-8H,2H2,1,3-5H3.
What are the key properties of 6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine?
6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine has a molecular weight of 191.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 123475527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).