(E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine

C12H21NO — CID 166112226

IUPAC(E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine
SMILESC=C(/C=C(\C)OC)C(=C)CCN(C)C
InChIInChI=1S/C12H21NO/c1-10(7-8-13(4)5)11(2)9-12(3)14-6/h9H,1-2,7-8H2,3-6H3/b12-9+
InChIKeyRRFWEUZCQJQYLC-FMIVXFBMSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds6

About (E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine

(E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine (PubChem CID 166112226) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine.

Molecular Properties

Compound Name(E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine
PubChem CID166112226
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine
SMILESC=C(/C=C(\C)OC)C(=C)CCN(C)C
InChIInChI=1S/C12H21NO/c1-10(7-8-13(4)5)11(2)9-12(3)14-6/h9H,1-2,7-8H2,3-6H3/b12-9+
InChIKeyRRFWEUZCQJQYLC-FMIVXFBMSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine
CID 118057989
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189
1-(6-Ethoxy-4-methylidenehept-5-enyl)pyrrolidine
CID 123449819
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
CID 139419803
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
(2R,3R,5Z,7E)-3-ethyl-8-methoxy-N,N,2-trimethyl-4-methylidenenona-5,7-dien-1-amine
CID 146275949
2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 163914886
(E,3Z)-4-[(Z)-but-2-en-2-yl]-N,N-dimethyl-3-propylidenehept-4-en-1-amine;ethane;2-ethoxyprop-1-ene
CID 171520786
4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 175756689
(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 143074213
1-[(Z,2Z)-2-(1-methoxyethylidene)-3-methylidenehex-4-enyl]piperidine
CID 176939998

Frequently Asked Questions

What is the IUPAC name of (E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine?
The IUPAC name of (E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine (CID 166112226) is (E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine.
What is the SMILES notation for (E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine?
The canonical SMILES for (E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine is C=C(/C=C(\C)OC)C(=C)CCN(C)C.
What is the InChIKey of (E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine?
The InChIKey is RRFWEUZCQJQYLC-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(7-8-13(4)5)11(2)9-12(3)14-6/h9H,1-2,7-8H2,3-6H3/b12-9+.
What are the key properties of (E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine?
(E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine is sourced from PubChem (CID 166112226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).