2-cyclopropyl-N-octyloxolan-3-amine

C15H29NO — CID 103580714

IUPAC2-cyclopropyl-N-octyloxolan-3-amine
SMILESCCCCCCCCNC1CCOC1C1CC1
InChIInChI=1S/C15H29NO/c1-2-3-4-5-6-7-11-16-14-10-12-17-15(14)13-8-9-13/h13-16H,2-12H2,1H3
InChIKeyTZVMXDLLXCKDCW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds9

About 2-cyclopropyl-N-octyloxolan-3-amine

2-cyclopropyl-N-octyloxolan-3-amine (PubChem CID 103580714) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-octyloxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-octyloxolan-3-amine
PubChem CID103580714
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-cyclopropyl-N-octyloxolan-3-amine
SMILESCCCCCCCCNC1CCOC1C1CC1
InChIInChI=1S/C15H29NO/c1-2-3-4-5-6-7-11-16-14-10-12-17-15(14)13-8-9-13/h13-16H,2-12H2,1H3
InChIKeyTZVMXDLLXCKDCW-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-octyloxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-octyloxolan-3-amine (CID 103580714) is 2-cyclopropyl-N-octyloxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-octyloxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-octyloxolan-3-amine is CCCCCCCCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-octyloxolan-3-amine?
The InChIKey is TZVMXDLLXCKDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-4-5-6-7-11-16-14-10-12-17-15(14)13-8-9-13/h13-16H,2-12H2,1H3.
What are the key properties of 2-cyclopropyl-N-octyloxolan-3-amine?
2-cyclopropyl-N-octyloxolan-3-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-octyloxolan-3-amine is sourced from PubChem (CID 103580714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).