N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine

C11H23NO2 — CID 103581457

IUPACN-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine
SMILESCCOCCCNC1(C)CCOC1C
InChIInChI=1S/C11H23NO2/c1-4-13-8-5-7-12-11(3)6-9-14-10(11)2/h10,12H,4-9H2,1-3H3
InChIKeyBHYDVHHWBXLXLL-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.57
Rot. Bonds6

About N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine

N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine (PubChem CID 103581457) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine
PubChem CID103581457
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine
SMILESCCOCCCNC1(C)CCOC1C
InChIInChI=1S/C11H23NO2/c1-4-13-8-5-7-12-11(3)6-9-14-10(11)2/h10,12H,4-9H2,1-3H3
InChIKeyBHYDVHHWBXLXLL-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.57
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 N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine (CID 103581457) is N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine is CCOCCCNC1(C)CCOC1C.
What is the InChIKey of N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine?
The InChIKey is BHYDVHHWBXLXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-13-8-5-7-12-11(3)6-9-14-10(11)2/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine?
N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine has a molecular weight of 201.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).