2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine

C11H19NO — CID 103580813

IUPAC2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine
SMILESC=C(C)CNC1CCOC1C1CC1
InChIInChI=1S/C11H19NO/c1-8(2)7-12-10-5-6-13-11(10)9-3-4-9/h9-12H,1,3-7H2,2H3
InChIKeyYJKNKCQOAZTUHW-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds4

About 2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine

2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine (PubChem CID 103580813) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine
PubChem CID103580813
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine
SMILESC=C(C)CNC1CCOC1C1CC1
InChIInChI=1S/C11H19NO/c1-8(2)7-12-10-5-6-13-11(10)9-3-4-9/h9-12H,1,3-7H2,2H3
InChIKeyYJKNKCQOAZTUHW-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.72
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 2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine (CID 103580813) is 2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine is C=C(C)CNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine?
The InChIKey is YJKNKCQOAZTUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)7-12-10-5-6-13-11(10)9-3-4-9/h9-12H,1,3-7H2,2H3.
What are the key properties of 2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine?
2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methylprop-2-enyl)oxolan-3-amine is sourced from PubChem (CID 103580813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).