[3-(2-methylprop-2-enyl)oxan-3-yl]methanamine

C10H19NO — CID 130514940

IUPAC[3-(2-methylprop-2-enyl)oxan-3-yl]methanamine
SMILESC=C(C)CC1(CN)CCCOC1
InChIInChI=1S/C10H19NO/c1-9(2)6-10(7-11)4-3-5-12-8-10/h1,3-8,11H2,2H3
InChIKeyHKPHJEVXZOEIJQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds3

About [3-(2-methylprop-2-enyl)oxan-3-yl]methanamine

[3-(2-methylprop-2-enyl)oxan-3-yl]methanamine (PubChem CID 130514940) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [3-(2-methylprop-2-enyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylprop-2-enyl)oxan-3-yl]methanamine
PubChem CID130514940
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[3-(2-methylprop-2-enyl)oxan-3-yl]methanamine
SMILESC=C(C)CC1(CN)CCCOC1
InChIInChI=1S/C10H19NO/c1-9(2)6-10(7-11)4-3-5-12-8-10/h1,3-8,11H2,2H3
InChIKeyHKPHJEVXZOEIJQ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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

3-Methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038289
2-Methyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79178834
3-Methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184856
4-Methyl-1-(oxan-3-yl)pent-4-en-1-amine
CID 114474940
2-(Oxan-3-ylmethyl)prop-2-en-1-amine
CID 117266383
3-(Oxan-4-ylmethyl)but-3-en-1-amine
CID 117268373
3-(Oxan-3-yl)but-3-en-1-amine
CID 117268429
3-(Oxan-3-ylmethyl)but-3-en-1-amine
CID 117268708
[3-[(E)-but-2-enyl]oxan-3-yl]methanamine
CID 130514959
(3-But-3-en-2-yloxan-3-yl)methanamine
CID 130514960
[3-(Cyclopenten-1-ylmethyl)oxan-3-yl]methanamine
CID 131172223
2-(2-Ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
CID 143436134

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylprop-2-enyl)oxan-3-yl]methanamine?
The IUPAC name of [3-(2-methylprop-2-enyl)oxan-3-yl]methanamine (CID 130514940) is [3-(2-methylprop-2-enyl)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(2-methylprop-2-enyl)oxan-3-yl]methanamine?
The canonical SMILES for [3-(2-methylprop-2-enyl)oxan-3-yl]methanamine is C=C(C)CC1(CN)CCCOC1.
What is the InChIKey of [3-(2-methylprop-2-enyl)oxan-3-yl]methanamine?
The InChIKey is HKPHJEVXZOEIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)6-10(7-11)4-3-5-12-8-10/h1,3-8,11H2,2H3.
What are the key properties of [3-(2-methylprop-2-enyl)oxan-3-yl]methanamine?
[3-(2-methylprop-2-enyl)oxan-3-yl]methanamine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylprop-2-enyl)oxan-3-yl]methanamine is sourced from PubChem (CID 130514940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).