(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine

C12H21NO — CID 143074213

IUPAC(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
SMILESC=C(/C=C\C=C(/C)OC)CN(C)CC
InChIInChI=1S/C12H21NO/c1-6-13(4)10-11(2)8-7-9-12(3)14-5/h7-9H,2,6,10H2,1,3-5H3/b8-7-,12-9+
InChIKeyJPZJYXOSYNNVKF-HVTAIUIQSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds6

About (3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine

(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine (PubChem CID 143074213) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
PubChem CID143074213
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
SMILESC=C(/C=C\C=C(/C)OC)CN(C)CC
InChIInChI=1S/C12H21NO/c1-6-13(4)10-11(2)8-7-9-12(3)14-5/h7-9H,2,6,10H2,1,3-5H3/b8-7-,12-9+
InChIKeyJPZJYXOSYNNVKF-HVTAIUIQSA-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

(5E)-6-fluoro-2-[(E)-2-methoxyprop-1-enyl]-N,N-dimethylhexa-3,5-dien-1-amine
CID 142929017
N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine
CID 134921126
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
CID 134966484
(2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine
CID 54179767
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
CID 89688747
N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine
CID 90742949
(3E,5Z)-N-[(E)-but-2-enyl]-5,6-dimethoxy-N-methylhepta-3,5-dien-1-amine
CID 122649699
3,4-dimethoxy-N-methyl-2-methylidene-N-propylpent-3-en-1-amine
CID 123395458
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 123792144

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine (CID 143074213) is (3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine is C=C(/C=C\C=C(/C)OC)CN(C)CC.
What is the InChIKey of (3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
The InChIKey is JPZJYXOSYNNVKF-HVTAIUIQSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-13(4)10-11(2)8-7-9-12(3)14-5/h7-9H,2,6,10H2,1,3-5H3/b8-7-,12-9+.
What are the key properties of (3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-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 (3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine is sourced from PubChem (CID 143074213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).