(3-but-3-enyloxolan-3-yl)methanamine

C9H17NO — CID 130514936

IUPAC(3-but-3-enyloxolan-3-yl)methanamine
SMILESC=CCCC1(CN)CCOC1
InChIInChI=1S/C9H17NO/c1-2-3-4-9(7-10)5-6-11-8-9/h2H,1,3-8,10H2
InChIKeyYRGOTBVGMZOHRX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds4

About (3-but-3-enyloxolan-3-yl)methanamine

(3-but-3-enyloxolan-3-yl)methanamine (PubChem CID 130514936) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3-but-3-enyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-but-3-enyloxolan-3-yl)methanamine
PubChem CID130514936
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3-but-3-enyloxolan-3-yl)methanamine
SMILESC=CCCC1(CN)CCOC1
InChIInChI=1S/C9H17NO/c1-2-3-4-9(7-10)5-6-11-8-9/h2H,1,3-8,10H2
InChIKeyYRGOTBVGMZOHRX-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-but-3-enyloxolan-3-yl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(Oxolan-3-yl)but-3-en-1-amine
CID 65330674
(3-But-3-en-2-yloxolan-3-yl)methanamine
CID 130514938
[4-(But-3-en-1-yl)oxan-4-yl]methanamine
CID 137699061

Frequently Asked Questions

What is the IUPAC name of (3-but-3-enyloxolan-3-yl)methanamine?
The IUPAC name of (3-but-3-enyloxolan-3-yl)methanamine (CID 130514936) is (3-but-3-enyloxolan-3-yl)methanamine.
What is the SMILES notation for (3-but-3-enyloxolan-3-yl)methanamine?
The canonical SMILES for (3-but-3-enyloxolan-3-yl)methanamine is C=CCCC1(CN)CCOC1.
What is the InChIKey of (3-but-3-enyloxolan-3-yl)methanamine?
The InChIKey is YRGOTBVGMZOHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-9(7-10)5-6-11-8-9/h2H,1,3-8,10H2.
What are the key properties of (3-but-3-enyloxolan-3-yl)methanamine?
(3-but-3-enyloxolan-3-yl)methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-3-enyloxolan-3-yl)methanamine is sourced from PubChem (CID 130514936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).