(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine

C10H17NO — CID 142207266

IUPAC(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C/C)CNC)OC
InChIInChI=1S/C10H17NO/c1-5-10(8-11-3)7-6-9(2)12-4/h5-7,11H,2,8H2,1,3-4H3/b7-6-,10-5+
InChIKeyJEXYFRVYHLMEGY-JQEGGOPCSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds5

About (2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine

(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine (PubChem CID 142207266) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine
PubChem CID142207266
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C/C)CNC)OC
InChIInChI=1S/C10H17NO/c1-5-10(8-11-3)7-6-9(2)12-4/h5-7,11H,2,8H2,1,3-4H3/b7-6-,10-5+
InChIKeyJEXYFRVYHLMEGY-JQEGGOPCSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
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

(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 143043496
N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
CID 142837118
(Z,2E)-5-methoxy-2-(2-methoxypropylidene)-N-methylhex-3-en-1-amine
CID 88274869
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine
CID 90710826
6-methoxy-N-methylocta-4,6-dien-1-amine
CID 123371000
N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine
CID 123882157
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine (CID 142207266) is (2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine is C=C(/C=C\C(=C/C)CNC)OC.
What is the InChIKey of (2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine?
The InChIKey is JEXYFRVYHLMEGY-JQEGGOPCSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-10(8-11-3)7-6-9(2)12-4/h5-7,11H,2,8H2,1,3-4H3/b7-6-,10-5+.
What are the key properties of (2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine?
(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine is sourced from PubChem (CID 142207266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).