(2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine

C9H15NO — CID 134174760

IUPAC(2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)OCC
InChIInChI=1S/C9H15NO/c1-4-9(10)7-6-8(3)11-5-2/h4,6-7H,3,5,10H2,1-2H3/b7-6-,9-4+
InChIKeyZJFOJBGDNXQITB-WSISTYIOSA-N
MW153.22 g/mol
LogP1.96
Rot. Bonds4

About (2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine

(2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine (PubChem CID 134174760) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine
PubChem CID134174760
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)OCC
InChIInChI=1S/C9H15NO/c1-4-9(10)7-6-8(3)11-5-2/h4,6-7H,3,5,10H2,1-2H3/b7-6-,9-4+
InChIKeyZJFOJBGDNXQITB-WSISTYIOSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.96
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

(2E,4E)-5-fluoro-6-methoxyhepta-2,4,6-trien-3-amine
CID 89074120
(3E)-5-ethoxy-4-fluorohexa-1,3,5-trien-2-amine
CID 142348734
(3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
CID 142875988
(3E)-5-ethoxy-3-fluorohexa-1,3,5-trien-2-amine
CID 143431970
(3E)-4-ethoxy-5-fluorohexa-1,3,5-trien-2-amine
CID 156714137
(3E)-5-methoxy-6-methylhepta-1,3,5-trien-3-amine
CID 88235023
(2E,4Z)-6-(2-methoxyethoxy)hepta-2,4,6-trien-3-amine
CID 88235978
(2Z,4Z)-6-(3-methoxypropoxy)hepta-2,4,6-trien-2-amine
CID 88274416
(2E)-4-methoxypenta-2,4-dien-2-amine
CID 88529526
(3E,5Z)-7-methoxyhepta-1,3,5-trien-3-amine
CID 88925864
(3Z)-5-(3-aminopropoxy)hexa-1,3,5-trien-3-amine
CID 89001435
(3E,5Z)-7-[(2-methylpropan-2-yl)oxy]hepta-3,5-dien-1-yn-4-amine
CID 89153973

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine (CID 134174760) is (2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine is C=C(/C=C\C(N)=C/C)OCC.
What is the InChIKey of (2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine?
The InChIKey is ZJFOJBGDNXQITB-WSISTYIOSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-9(10)7-6-8(3)11-5-2/h4,6-7H,3,5,10H2,1-2H3/b7-6-,9-4+.
What are the key properties of (2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine?
(2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine has a molecular weight of 153.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-ethoxyhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 134174760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).