(3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine

C9H17NO — CID 134333921

IUPAC(3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine
SMILESC=C(/C=C(\CC)NCC)OC
InChIInChI=1S/C9H17NO/c1-5-9(10-6-2)7-8(3)11-4/h7,10H,3,5-6H2,1-2,4H3/b9-7+
InChIKeyCGNIPZSJKHSKDQ-VQHVLOKHSA-N
MW155.24 g/mol
LogP2.05
Rot. Bonds5

About (3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine

(3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine (PubChem CID 134333921) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine
PubChem CID134333921
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine
SMILESC=C(/C=C(\CC)NCC)OC
InChIInChI=1S/C9H17NO/c1-5-9(10-6-2)7-8(3)11-4/h7,10H,3,5-6H2,1-2,4H3/b9-7+
InChIKeyCGNIPZSJKHSKDQ-VQHVLOKHSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine?
The IUPAC name of (3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine (CID 134333921) is (3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine.
What is the SMILES notation for (3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine?
The canonical SMILES for (3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine is C=C(/C=C(\CC)NCC)OC.
What is the InChIKey of (3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine?
The InChIKey is CGNIPZSJKHSKDQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(10-6-2)7-8(3)11-4/h7,10H,3,5-6H2,1-2,4H3/b9-7+.
What are the key properties of (3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine?
(3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine has a molecular weight of 155.24 g/mol, XLogP of 2.05, 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-methoxyhexa-3,5-dien-3-amine is sourced from PubChem (CID 134333921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).