(2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine

C10H19NO — CID 137427649

IUPAC(2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine
SMILESCCC(=C/C=C(/N)COC)CC
InChIInChI=1S/C10H19NO/c1-4-9(5-2)6-7-10(11)8-12-3/h6-7H,4-5,8,11H2,1-3H3/b10-7+
InChIKeyOLAXIUXTFOGFIW-JXMROGBWSA-N
MW169.27 g/mol
LogP2.22
Rot. Bonds5

About (2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine

(2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine (PubChem CID 137427649) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine
PubChem CID137427649
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine
SMILESCCC(=C/C=C(/N)COC)CC
InChIInChI=1S/C10H19NO/c1-4-9(5-2)6-7-10(11)8-12-3/h6-7H,4-5,8,11H2,1-3H3/b10-7+
InChIKeyOLAXIUXTFOGFIW-JXMROGBWSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.22
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 (2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine?
The IUPAC name of (2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine (CID 137427649) is (2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine?
The canonical SMILES for (2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine is CCC(=C/C=C(/N)COC)CC.
What is the InChIKey of (2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine?
The InChIKey is OLAXIUXTFOGFIW-JXMROGBWSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(5-2)6-7-10(11)8-12-3/h6-7H,4-5,8,11H2,1-3H3/b10-7+.
What are the key properties of (2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine?
(2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine has a molecular weight of 169.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-ethyl-1-methoxyhepta-2,4-dien-2-amine is sourced from PubChem (CID 137427649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).