2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine

C12H25NO2 — CID 103581336

IUPAC2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
SMILESCC1OCCC1(C)NCCOC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-10-12(5,6-8-14-10)13-7-9-15-11(2,3)4/h10,13H,6-9H2,1-5H3
InChIKeyIIHLGKZTMKWQCV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds4

About 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine

2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine (PubChem CID 103581336) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
PubChem CID103581336
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
SMILESCC1OCCC1(C)NCCOC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-10-12(5,6-8-14-10)13-7-9-15-11(2,3)4/h10,13H,6-9H2,1-5H3
InChIKeyIIHLGKZTMKWQCV-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine?
The IUPAC name of 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine (CID 103581336) is 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine is CC1OCCC1(C)NCCOC(C)(C)C.
What is the InChIKey of 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine?
The InChIKey is IIHLGKZTMKWQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10-12(5,6-8-14-10)13-7-9-15-11(2,3)4/h10,13H,6-9H2,1-5H3.
What are the key properties of 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine?
2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine is sourced from PubChem (CID 103581336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).