6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine

C11H19NO — CID 166750173

IUPAC6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine
SMILESC=C(C)C1CC1C1CCC(N)CO1
InChIInChI=1S/C11H19NO/c1-7(2)9-5-10(9)11-4-3-8(12)6-13-11/h8-11H,1,3-6,12H2,2H3
InChIKeyVSWANAALCHGWGO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.70
Rot. Bonds2

About 6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine

6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine (PubChem CID 166750173) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine.

Molecular Properties

Compound Name6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine
PubChem CID166750173
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine
SMILESC=C(C)C1CC1C1CCC(N)CO1
InChIInChI=1S/C11H19NO/c1-7(2)9-5-10(9)11-4-3-8(12)6-13-11/h8-11H,1,3-6,12H2,2H3
InChIKeyVSWANAALCHGWGO-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine?
The IUPAC name of 6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine (CID 166750173) is 6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine.
What is the SMILES notation for 6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine?
The canonical SMILES for 6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine is C=C(C)C1CC1C1CCC(N)CO1.
What is the InChIKey of 6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine?
The InChIKey is VSWANAALCHGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(2)9-5-10(9)11-4-3-8(12)6-13-11/h8-11H,1,3-6,12H2,2H3.
What are the key properties of 6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine?
6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-prop-1-en-2-ylcyclopropyl)oxan-3-amine is sourced from PubChem (CID 166750173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).