(2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine

C10H17NO2 — CID 176960819

IUPAC(2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine
SMILESC=C(/C=C(OC)\C(=C/C)CN)OC
InChIInChI=1S/C10H17NO2/c1-5-9(7-11)10(13-4)6-8(2)12-3/h5-6H,2,7,11H2,1,3-4H3/b9-5-,10-6+
InChIKeyDILXCTVEKRPSAM-VTBWALSUSA-N
MW183.25 g/mol
LogP1.58
Rot. Bonds5

About (2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine

(2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine (PubChem CID 176960819) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine
PubChem CID176960819
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine
SMILESC=C(/C=C(OC)\C(=C/C)CN)OC
InChIInChI=1S/C10H17NO2/c1-5-9(7-11)10(13-4)6-8(2)12-3/h5-6H,2,7,11H2,1,3-4H3/b9-5-,10-6+
InChIKeyDILXCTVEKRPSAM-VTBWALSUSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3E)-3,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine;ethane
CID 142423701
2,4-dimethoxy-5-methylidenehepta-1,3-diene
CID 123258138
2,4-dimethoxypenta-1,3-diene
CID 90861204
(3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene
CID 142585808
(3E)-5-methoxy-N-(methoxymethyl)hexa-3,5-dien-3-amine
CID 154006676
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
CID 145066149
(3E)-4,5-dimethoxyhexa-1,3,5-trien-2-amine
CID 143245209
4-methoxy-2-methylpenta-2,4-dienal
CID 123705990
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992
(3E)-2-bromo-3-methoxypenta-1,3-diene
CID 147749518
(3E)-5-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146382961

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine?
The IUPAC name of (2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine (CID 176960819) is (2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine.
What is the SMILES notation for (2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine?
The canonical SMILES for (2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine is C=C(/C=C(OC)\C(=C/C)CN)OC.
What is the InChIKey of (2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine?
The InChIKey is DILXCTVEKRPSAM-VTBWALSUSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-9(7-11)10(13-4)6-8(2)12-3/h5-6H,2,7,11H2,1,3-4H3/b9-5-,10-6+.
What are the key properties of (2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine?
(2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine is sourced from PubChem (CID 176960819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).