(3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine

C8H15NO — CID 169217501

IUPAC(3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine
SMILESC=C(/C=C/COC)NCC
InChIInChI=1S/C8H15NO/c1-4-9-8(2)6-5-7-10-3/h5-6,9H,2,4,7H2,1,3H3/b6-5+
InChIKeyRORLMJYSQJPUPI-AATRIKPKSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds5

About (3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine

(3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine (PubChem CID 169217501) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine
PubChem CID169217501
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine
SMILESC=C(/C=C/COC)NCC
InChIInChI=1S/C8H15NO/c1-4-9-8(2)6-5-7-10-3/h5-6,9H,2,4,7H2,1,3H3/b6-5+
InChIKeyRORLMJYSQJPUPI-AATRIKPKSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,4Z)-3-ethylidene-6-methoxyhexa-1,4-dien-2-amine
CID 155697747
(3Z,5Z)-7-methoxy-2-methylhepta-1,3,5-triene
CID 143035425
(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
CID 143599769
(3Z,5Z)-7-methoxy-4-methylhepta-1,3,5-triene
CID 89381358
4-methoxybut-2-enoyl chloride
CID 54429402
(E)-N,N-diethyl-4-methoxybut-2-enamide
CID 154627835
(3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine
CID 145102925
1-methoxypent-2-ene
CID 551185
phenyl (E)-4-methoxybut-2-enoate
CID 174589073
(2Z,5Z)-1-methoxy-6-methylocta-2,5-diene
CID 142244448
(E)-1-methoxyhex-2-ene
CID 5366215
tert-butyl (E)-4-methoxybut-2-enoate
CID 15545896

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine (CID 169217501) is (3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine is C=C(/C=C/COC)NCC.
What is the InChIKey of (3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine?
The InChIKey is RORLMJYSQJPUPI-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-9-8(2)6-5-7-10-3/h5-6,9H,2,4,7H2,1,3H3/b6-5+.
What are the key properties of (3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine?
(3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine is sourced from PubChem (CID 169217501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).