1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine

C11H17NO — CID 14591216

IUPAC1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
SMILESC=C1C=CC=C(OC)C1CN(C)C
InChIInChI=1S/C11H17NO/c1-9-6-5-7-11(13-4)10(9)8-12(2)3/h5-7,10H,1,8H2,2-4H3
InChIKeyPSHAYPLERCZHHZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.82
Rot. Bonds3

About 1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine

1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine (PubChem CID 14591216) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
PubChem CID14591216
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
SMILESC=C1C=CC=C(OC)C1CN(C)C
InChIInChI=1S/C11H17NO/c1-9-6-5-7-11(13-4)10(9)8-12(2)3/h5-7,10H,1,8H2,2-4H3
InChIKeyPSHAYPLERCZHHZ-UHFFFAOYSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
CID 89688747
1-(2-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 123396101
3-Methyl-2,4,4a,5-tetrahydro-1,3-benzoxazine
CID 141035288
Ethene;3,7,8-trimethyl-2,4,4a,5-tetrahydro-1,3-benzoxazine
CID 141802776
N,N-dimethyl-1,7a-dihydro-2-benzofuran-1-amine
CID 142062864
3-(2-cyclohexa-1,5-dien-1-ylethoxy)-N,N-dimethylbutan-1-amine
CID 142096184
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine
CID 143444022
2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 163914886
1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 163962765
(7E)-7-[(Z)-but-2-enylidene]-3-methyl-4,8-dihydro-2H-1,3-benzoxazine
CID 166969375
(4-Methoxycyclohexa-2,4-dien-1-yl)methyl-trimethylazanium
CID 167083277

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine (CID 14591216) is 1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine is C=C1C=CC=C(OC)C1CN(C)C.
What is the InChIKey of 1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
The InChIKey is PSHAYPLERCZHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-6-5-7-11(13-4)10(9)8-12(2)3/h5-7,10H,1,8H2,2-4H3.
What are the key properties of 1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine?
1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine has a molecular weight of 179.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 14591216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).