3-(3-methoxypropyl)-2-methyloxolan-3-amine

C9H19NO2 — CID 114535363

IUPAC3-(3-methoxypropyl)-2-methyloxolan-3-amine
SMILESCOCCCC1(N)CCOC1C
InChIInChI=1S/C9H19NO2/c1-8-9(10,5-7-12-8)4-3-6-11-2/h8H,3-7,10H2,1-2H3
InChIKeyRCYDYILVICRIGV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds4

About 3-(3-methoxypropyl)-2-methyloxolan-3-amine

3-(3-methoxypropyl)-2-methyloxolan-3-amine (PubChem CID 114535363) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-methyloxolan-3-amine
PubChem CID114535363
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(3-methoxypropyl)-2-methyloxolan-3-amine
SMILESCOCCCC1(N)CCOC1C
InChIInChI=1S/C9H19NO2/c1-8-9(10,5-7-12-8)4-3-6-11-2/h8H,3-7,10H2,1-2H3
InChIKeyRCYDYILVICRIGV-UHFFFAOYSA-N
XLogP0.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(3-methoxypropyl)-2-methyloxolan-3-amine?
The IUPAC name of 3-(3-methoxypropyl)-2-methyloxolan-3-amine (CID 114535363) is 3-(3-methoxypropyl)-2-methyloxolan-3-amine.
What is the SMILES notation for 3-(3-methoxypropyl)-2-methyloxolan-3-amine?
The canonical SMILES for 3-(3-methoxypropyl)-2-methyloxolan-3-amine is COCCCC1(N)CCOC1C.
What is the InChIKey of 3-(3-methoxypropyl)-2-methyloxolan-3-amine?
The InChIKey is RCYDYILVICRIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8-9(10,5-7-12-8)4-3-6-11-2/h8H,3-7,10H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-2-methyloxolan-3-amine?
3-(3-methoxypropyl)-2-methyloxolan-3-amine has a molecular weight of 173.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 114535363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).