N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine

C12H25NO2 — CID 75356349

IUPACN-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCCCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)9-10(12(3,4)15-11)13-7-6-8-14-5/h10,13H,6-9H2,1-5H3
InChIKeyKSBAOMJDJBBYNP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds5

About N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 75356349) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID75356349
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCCCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)9-10(12(3,4)15-11)13-7-6-8-14-5/h10,13H,6-9H2,1-5H3
InChIKeyKSBAOMJDJBBYNP-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
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-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 75356349) is N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine is COCCCNC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is KSBAOMJDJBBYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)9-10(12(3,4)15-11)13-7-6-8-14-5/h10,13H,6-9H2,1-5H3.
What are the key properties of N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 75356349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).