(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine

C9H15NO — CID 142018033

IUPAC(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(\C=C)OCC
InChIInChI=1S/C9H15NO/c1-4-8(7-10)9(5-2)11-6-3/h4-5H,1-2,6-7,10H2,3H3/b9-8-
InChIKeyMDPMLVTXRZKHRU-HJWRWDBZSA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds5

About (2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine

(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine (PubChem CID 142018033) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine
PubChem CID142018033
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(\C=C)OCC
InChIInChI=1S/C9H15NO/c1-4-8(7-10)9(5-2)11-6-3/h4-5H,1-2,6-7,10H2,3H3/b9-8-
InChIKeyMDPMLVTXRZKHRU-HJWRWDBZSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
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

3-Fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine
CID 123394914
(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143306820
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
CID 169127401
(2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine
CID 143689086
(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904399
4-Aminomethylpyran
CID 23344150
(1Z,3E)-4-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 89205984
(Z)-2-(1-ethoxyethenyl)but-2-en-1-amine
CID 89270592
2-Ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
CID 123179464
3-Methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
(2E,4Z)-3-ethoxyhexa-2,4-dien-1-amine
CID 129237747
(3E)-5-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 138569828

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine (CID 142018033) is (2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine is C=C/C(CN)=C(\C=C)OCC.
What is the InChIKey of (2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine?
The InChIKey is MDPMLVTXRZKHRU-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8(7-10)9(5-2)11-6-3/h4-5H,1-2,6-7,10H2,3H3/b9-8-.
What are the key properties of (2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine?
(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine is sourced from PubChem (CID 142018033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).