3-pent-4-en-2-yloxybutan-1-amine

C9H19NO — CID 126719458

IUPAC3-pent-4-en-2-yloxybutan-1-amine
SMILESC=CCC(C)OC(C)CCN
InChIInChI=1S/C9H19NO/c1-4-5-8(2)11-9(3)6-7-10/h4,8-9H,1,5-7,10H2,2-3H3
InChIKeyXMLBWKKSKITSSJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds6

About 3-pent-4-en-2-yloxybutan-1-amine

3-pent-4-en-2-yloxybutan-1-amine (PubChem CID 126719458) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-pent-4-en-2-yloxybutan-1-amine.

Molecular Properties

Compound Name3-pent-4-en-2-yloxybutan-1-amine
PubChem CID126719458
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-pent-4-en-2-yloxybutan-1-amine
SMILESC=CCC(C)OC(C)CCN
InChIInChI=1S/C9H19NO/c1-4-5-8(2)11-9(3)6-7-10/h4,8-9H,1,5-7,10H2,2-3H3
InChIKeyXMLBWKKSKITSSJ-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-pent-4-en-2-yloxybutan-1-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 3-pent-4-en-2-yloxybutan-1-amine?
The IUPAC name of 3-pent-4-en-2-yloxybutan-1-amine (CID 126719458) is 3-pent-4-en-2-yloxybutan-1-amine.
What is the SMILES notation for 3-pent-4-en-2-yloxybutan-1-amine?
The canonical SMILES for 3-pent-4-en-2-yloxybutan-1-amine is C=CCC(C)OC(C)CCN.
What is the InChIKey of 3-pent-4-en-2-yloxybutan-1-amine?
The InChIKey is XMLBWKKSKITSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-8(2)11-9(3)6-7-10/h4,8-9H,1,5-7,10H2,2-3H3.
What are the key properties of 3-pent-4-en-2-yloxybutan-1-amine?
3-pent-4-en-2-yloxybutan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-en-2-yloxybutan-1-amine is sourced from PubChem (CID 126719458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).