(1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine

C10H17NO — CID 126590730

IUPAC(1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine
SMILESC/C=C(\C=C(/C=C\N)OC)CC
InChIInChI=1S/C10H17NO/c1-4-9(5-2)8-10(12-3)6-7-11/h4,6-8H,5,11H2,1-3H3/b7-6-,9-4-,10-8+
InChIKeyRCCLDCGNQQMMEQ-FMXKPTMZSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds4

About (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine

(1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine (PubChem CID 126590730) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine
PubChem CID126590730
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine
SMILESC/C=C(\C=C(/C=C\N)OC)CC
InChIInChI=1S/C10H17NO/c1-4-9(5-2)8-10(12-3)6-7-11/h4,6-8H,5,11H2,1-3H3/b7-6-,9-4-,10-8+
InChIKeyRCCLDCGNQQMMEQ-FMXKPTMZSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
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'}

Analyze (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z,3Z)-5-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 88961656
(1Z,3Z)-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
CID 89020336
(1Z,3Z)-5-methoxy-2-methylhexa-1,3,5-trien-1-amine
CID 89126573
(Z)-2-[(3E)-6-methylhepta-1,3-dien-2-yl]oxyethenamine
CID 89130500
(Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine
CID 89131837
(Z)-2-[(3E)-hepta-1,3-dien-2-yl]oxyethenamine
CID 89132007
(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-trien-1-amine
CID 89204078
(1Z,3E)-4-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 89205984
(1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
CID 89208979
(1E,3E)-4-[[(1Z)-buta-1,3-dienoxy]methyl]-6-methylhepta-1,3,5-trien-1-amine
CID 89214840
(1E,3Z)-3-methoxyhexa-1,3-dien-1-amine
CID 89282119
(1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine
CID 89364330

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine (CID 126590730) is (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine is C/C=C(\C=C(/C=C\N)OC)CC.
What is the InChIKey of (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine?
The InChIKey is RCCLDCGNQQMMEQ-FMXKPTMZSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-9(5-2)8-10(12-3)6-7-11/h4,6-8H,5,11H2,1-3H3/b7-6-,9-4-,10-8+.
What are the key properties of (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine?
(1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-5-ethyl-3-methoxyhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 126590730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).