(3-but-3-en-2-yloxolan-3-yl)methanamine

C9H17NO — CID 130514938

IUPAC(3-but-3-en-2-yloxolan-3-yl)methanamine
SMILESC=CC(C)C1(CN)CCOC1
InChIInChI=1S/C9H17NO/c1-3-8(2)9(6-10)4-5-11-7-9/h3,8H,1,4-7,10H2,2H3
InChIKeyXUUNGFFOXZTQBK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.17
Rot. Bonds3

About (3-but-3-en-2-yloxolan-3-yl)methanamine

(3-but-3-en-2-yloxolan-3-yl)methanamine (PubChem CID 130514938) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3-but-3-en-2-yloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-but-3-en-2-yloxolan-3-yl)methanamine
PubChem CID130514938
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3-but-3-en-2-yloxolan-3-yl)methanamine
SMILESC=CC(C)C1(CN)CCOC1
InChIInChI=1S/C9H17NO/c1-3-8(2)9(6-10)4-5-11-7-9/h3,8H,1,4-7,10H2,2H3
InChIKeyXUUNGFFOXZTQBK-UHFFFAOYSA-N
XLogP1.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methoxyethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682416
(4-But-3-en-2-yloxan-4-yl)methanamine
CID 130514911
(3-But-3-enyloxolan-3-yl)methanamine
CID 130514936

Frequently Asked Questions

What is the IUPAC name of (3-but-3-en-2-yloxolan-3-yl)methanamine?
The IUPAC name of (3-but-3-en-2-yloxolan-3-yl)methanamine (CID 130514938) is (3-but-3-en-2-yloxolan-3-yl)methanamine.
What is the SMILES notation for (3-but-3-en-2-yloxolan-3-yl)methanamine?
The canonical SMILES for (3-but-3-en-2-yloxolan-3-yl)methanamine is C=CC(C)C1(CN)CCOC1.
What is the InChIKey of (3-but-3-en-2-yloxolan-3-yl)methanamine?
The InChIKey is XUUNGFFOXZTQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(2)9(6-10)4-5-11-7-9/h3,8H,1,4-7,10H2,2H3.
What are the key properties of (3-but-3-en-2-yloxolan-3-yl)methanamine?
(3-but-3-en-2-yloxolan-3-yl)methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-3-en-2-yloxolan-3-yl)methanamine is sourced from PubChem (CID 130514938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).