1-(2-methyloxolan-3-yl)pent-4-en-1-amine

C10H19NO — CID 104987718

IUPAC1-(2-methyloxolan-3-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1CCOC1C
InChIInChI=1S/C10H19NO/c1-3-4-5-10(11)9-6-7-12-8(9)2/h3,8-10H,1,4-7,11H2,2H3
InChIKeyBTJDLNDZHALTAF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds4

About 1-(2-methyloxolan-3-yl)pent-4-en-1-amine

1-(2-methyloxolan-3-yl)pent-4-en-1-amine (PubChem CID 104987718) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)pent-4-en-1-amine
PubChem CID104987718
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2-methyloxolan-3-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1CCOC1C
InChIInChI=1S/C10H19NO/c1-3-4-5-10(11)9-6-7-12-8(9)2/h3,8-10H,1,4-7,11H2,2H3
InChIKeyBTJDLNDZHALTAF-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methyloxolan-3-yl)pent-4-en-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 1-(2-methyloxolan-3-yl)pent-4-en-1-amine?
The IUPAC name of 1-(2-methyloxolan-3-yl)pent-4-en-1-amine (CID 104987718) is 1-(2-methyloxolan-3-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(2-methyloxolan-3-yl)pent-4-en-1-amine is C=CCCC(N)C1CCOC1C.
What is the InChIKey of 1-(2-methyloxolan-3-yl)pent-4-en-1-amine?
The InChIKey is BTJDLNDZHALTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-10(11)9-6-7-12-8(9)2/h3,8-10H,1,4-7,11H2,2H3.
What are the key properties of 1-(2-methyloxolan-3-yl)pent-4-en-1-amine?
1-(2-methyloxolan-3-yl)pent-4-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 104987718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).