(Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine

C8H15NO — CID 121274860

IUPAC(Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine
SMILESC/C=C(\C=C/COC)CN
InChIInChI=1S/C8H15NO/c1-3-8(7-9)5-4-6-10-2/h3-5H,6-7,9H2,1-2H3/b5-4-,8-3+
InChIKeyJQQZHTLLOMVMLQ-UEQFWHKLSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds4

About (Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine

(Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine (PubChem CID 121274860) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine
PubChem CID121274860
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine
SMILESC/C=C(\C=C/COC)CN
InChIInChI=1S/C8H15NO/c1-3-8(7-9)5-4-6-10-2/h3-5H,6-7,9H2,1-2H3/b5-4-,8-3+
InChIKeyJQQZHTLLOMVMLQ-UEQFWHKLSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine?
The IUPAC name of (Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine (CID 121274860) is (Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine?
The canonical SMILES for (Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine is C/C=C(\C=C/COC)CN.
What is the InChIKey of (Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine?
The InChIKey is JQQZHTLLOMVMLQ-UEQFWHKLSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8(7-9)5-4-6-10-2/h3-5H,6-7,9H2,1-2H3/b5-4-,8-3+.
What are the key properties of (Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine?
(Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-5-methoxypent-3-en-1-amine is sourced from PubChem (CID 121274860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).