(4-but-3-en-2-yloxan-4-yl)methanamine

C10H19NO — CID 130514911

IUPAC(4-but-3-en-2-yloxan-4-yl)methanamine
SMILESC=CC(C)C1(CN)CCOCC1
InChIInChI=1S/C10H19NO/c1-3-9(2)10(8-11)4-6-12-7-5-10/h3,9H,1,4-8,11H2,2H3
InChIKeyLQDUBBMMXDRHAX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds3

About (4-but-3-en-2-yloxan-4-yl)methanamine

(4-but-3-en-2-yloxan-4-yl)methanamine (PubChem CID 130514911) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4-but-3-en-2-yloxan-4-yl)methanamine.

Molecular Properties

Compound Name(4-but-3-en-2-yloxan-4-yl)methanamine
PubChem CID130514911
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4-but-3-en-2-yloxan-4-yl)methanamine
SMILESC=CC(C)C1(CN)CCOCC1
InChIInChI=1S/C10H19NO/c1-3-9(2)10(8-11)4-6-12-7-5-10/h3,9H,1,4-8,11H2,2H3
InChIKeyLQDUBBMMXDRHAX-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
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-[(6-Methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
CID 62455921
2-Methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640402
(4-Prop-2-enyloxan-4-yl)methanamine
CID 130477423
[4-[(E)-but-2-enyl]oxan-4-yl]methanamine
CID 130514910
(3-But-3-en-2-yloxolan-3-yl)methanamine
CID 130514938
(3-But-3-en-2-yloxan-3-yl)methanamine
CID 130514960
[4-(But-3-en-1-yl)oxan-4-yl]methanamine
CID 137699061
1-(4-Ethenyloxan-4-yl)methanaminehydrochloride
CID 146082451
1-(4-Ethenyloxan-4-yl)methanamine
CID 146082452

Frequently Asked Questions

What is the IUPAC name of (4-but-3-en-2-yloxan-4-yl)methanamine?
The IUPAC name of (4-but-3-en-2-yloxan-4-yl)methanamine (CID 130514911) is (4-but-3-en-2-yloxan-4-yl)methanamine.
What is the SMILES notation for (4-but-3-en-2-yloxan-4-yl)methanamine?
The canonical SMILES for (4-but-3-en-2-yloxan-4-yl)methanamine is C=CC(C)C1(CN)CCOCC1.
What is the InChIKey of (4-but-3-en-2-yloxan-4-yl)methanamine?
The InChIKey is LQDUBBMMXDRHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(2)10(8-11)4-6-12-7-5-10/h3,9H,1,4-8,11H2,2H3.
What are the key properties of (4-but-3-en-2-yloxan-4-yl)methanamine?
(4-but-3-en-2-yloxan-4-yl)methanamine has a molecular weight of 169.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-3-en-2-yloxan-4-yl)methanamine is sourced from PubChem (CID 130514911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).