1-ethoxy-5-methylhex-4-en-3-amine

C9H19NO — CID 105163482

IUPAC1-ethoxy-5-methylhex-4-en-3-amine
SMILESCCOCCC(N)C=C(C)C
InChIInChI=1S/C9H19NO/c1-4-11-6-5-9(10)7-8(2)3/h7,9H,4-6,10H2,1-3H3
InChIKeyUUQLEFRTXFBNTN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds5

About 1-ethoxy-5-methylhex-4-en-3-amine

1-ethoxy-5-methylhex-4-en-3-amine (PubChem CID 105163482) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-ethoxy-5-methylhex-4-en-3-amine.

Molecular Properties

Compound Name1-ethoxy-5-methylhex-4-en-3-amine
PubChem CID105163482
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-ethoxy-5-methylhex-4-en-3-amine
SMILESCCOCCC(N)C=C(C)C
InChIInChI=1S/C9H19NO/c1-4-11-6-5-9(10)7-8(2)3/h7,9H,4-6,10H2,1-3H3
InChIKeyUUQLEFRTXFBNTN-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethoxy-5-methylhex-4-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-methylhex-4-en-3-amine?
The IUPAC name of 1-ethoxy-5-methylhex-4-en-3-amine (CID 105163482) is 1-ethoxy-5-methylhex-4-en-3-amine.
What is the SMILES notation for 1-ethoxy-5-methylhex-4-en-3-amine?
The canonical SMILES for 1-ethoxy-5-methylhex-4-en-3-amine is CCOCCC(N)C=C(C)C.
What is the InChIKey of 1-ethoxy-5-methylhex-4-en-3-amine?
The InChIKey is UUQLEFRTXFBNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-11-6-5-9(10)7-8(2)3/h7,9H,4-6,10H2,1-3H3.
What are the key properties of 1-ethoxy-5-methylhex-4-en-3-amine?
1-ethoxy-5-methylhex-4-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-methylhex-4-en-3-amine is sourced from PubChem (CID 105163482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).