1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine

C12H23NO — CID 104987715

IUPAC1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C12H23NO/c1-5-6-7-11(13)12-8(2)9(3)14-10(12)4/h5,8-12H,1,6-7,13H2,2-4H3
InChIKeyZJCAHZAKNSLZBM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds4

About 1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine

1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine (PubChem CID 104987715) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine
PubChem CID104987715
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C12H23NO/c1-5-6-7-11(13)12-8(2)9(3)14-10(12)4/h5,8-12H,1,6-7,13H2,2-4H3
InChIKeyZJCAHZAKNSLZBM-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,4,5-trimethyloxolan-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-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine?
The IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine (CID 104987715) is 1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine is C=CCCC(N)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine?
The InChIKey is ZJCAHZAKNSLZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-6-7-11(13)12-8(2)9(3)14-10(12)4/h5,8-12H,1,6-7,13H2,2-4H3.
What are the key properties of 1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine?
1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethyloxolan-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 104987715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).