(E)-5-ethoxy-4-methylpent-4-en-2-amine

C8H17NO — CID 55253642

IUPAC(E)-5-ethoxy-4-methylpent-4-en-2-amine
SMILESCCO/C=C(\C)CC(C)N
InChIInChI=1S/C8H17NO/c1-4-10-6-7(2)5-8(3)9/h6,8H,4-5,9H2,1-3H3/b7-6+
InChIKeyUXHLTNJNIVCBCB-VOTSOKGWSA-N
MW143.23 g/mol
LogP1.66
Rot. Bonds4

About (E)-5-ethoxy-4-methylpent-4-en-2-amine

(E)-5-ethoxy-4-methylpent-4-en-2-amine (PubChem CID 55253642) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-5-ethoxy-4-methylpent-4-en-2-amine.

Molecular Properties

Compound Name(E)-5-ethoxy-4-methylpent-4-en-2-amine
PubChem CID55253642
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-5-ethoxy-4-methylpent-4-en-2-amine
SMILESCCO/C=C(\C)CC(C)N
InChIInChI=1S/C8H17NO/c1-4-10-6-7(2)5-8(3)9/h6,8H,4-5,9H2,1-3H3/b7-6+
InChIKeyUXHLTNJNIVCBCB-VOTSOKGWSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-ethoxy-4-methylpent-4-en-2-amine?
The IUPAC name of (E)-5-ethoxy-4-methylpent-4-en-2-amine (CID 55253642) is (E)-5-ethoxy-4-methylpent-4-en-2-amine.
What is the SMILES notation for (E)-5-ethoxy-4-methylpent-4-en-2-amine?
The canonical SMILES for (E)-5-ethoxy-4-methylpent-4-en-2-amine is CCO/C=C(\C)CC(C)N.
What is the InChIKey of (E)-5-ethoxy-4-methylpent-4-en-2-amine?
The InChIKey is UXHLTNJNIVCBCB-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-10-6-7(2)5-8(3)9/h6,8H,4-5,9H2,1-3H3/b7-6+.
What are the key properties of (E)-5-ethoxy-4-methylpent-4-en-2-amine?
(E)-5-ethoxy-4-methylpent-4-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethoxy-4-methylpent-4-en-2-amine is sourced from PubChem (CID 55253642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).