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

C10H19NO — CID 130514960

IUPAC(3-but-3-en-2-yloxan-3-yl)methanamine
SMILESC=CC(C)C1(CN)CCCOC1
InChIInChI=1S/C10H19NO/c1-3-9(2)10(7-11)5-4-6-12-8-10/h3,9H,1,4-8,11H2,2H3
InChIKeyGJJSSYGOMALBKO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds3

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

(3-but-3-en-2-yloxan-3-yl)methanamine (PubChem CID 130514960) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3-but-3-en-2-yloxan-3-yl)methanamine.

Molecular Properties

Compound Name(3-but-3-en-2-yloxan-3-yl)methanamine
PubChem CID130514960
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3-but-3-en-2-yloxan-3-yl)methanamine
SMILESC=CC(C)C1(CN)CCCOC1
InChIInChI=1S/C10H19NO/c1-3-9(2)10(7-11)5-4-6-12-8-10/h3,9H,1,4-8,11H2,2H3
InChIKeyGJJSSYGOMALBKO-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-Methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640402
N,2-dimethyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640580
(4-But-3-en-2-yloxan-4-yl)methanamine
CID 130514911
[3-(2-Methylprop-2-enyl)oxan-3-yl]methanamine
CID 130514940
[3-[(E)-3-chloroprop-2-enyl]oxan-3-yl]methanamine
CID 130514946
(3-Cyclohex-2-en-1-yloxan-3-yl)methanamine
CID 130514951
[3-[(E)-but-2-enyl]oxan-3-yl]methanamine
CID 130514959
[4-(But-3-en-1-yl)oxan-4-yl]methanamine
CID 137699061
2-(2-Ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
CID 143436134

Frequently Asked Questions

What is the IUPAC name of (3-but-3-en-2-yloxan-3-yl)methanamine?
The IUPAC name of (3-but-3-en-2-yloxan-3-yl)methanamine (CID 130514960) is (3-but-3-en-2-yloxan-3-yl)methanamine.
What is the SMILES notation for (3-but-3-en-2-yloxan-3-yl)methanamine?
The canonical SMILES for (3-but-3-en-2-yloxan-3-yl)methanamine is C=CC(C)C1(CN)CCCOC1.
What is the InChIKey of (3-but-3-en-2-yloxan-3-yl)methanamine?
The InChIKey is GJJSSYGOMALBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(2)10(7-11)5-4-6-12-8-10/h3,9H,1,4-8,11H2,2H3.
What are the key properties of (3-but-3-en-2-yloxan-3-yl)methanamine?
(3-but-3-en-2-yloxan-3-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 (3-but-3-en-2-yloxan-3-yl)methanamine is sourced from PubChem (CID 130514960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).