N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

C12H25NO2 — CID 100735189

IUPACN-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESCC(C)COCCN(C)C[C@@H]1CCCO1
InChIInChI=1S/C12H25NO2/c1-11(2)10-14-8-6-13(3)9-12-5-4-7-15-12/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyLWSJPZIISYZHFT-LBPRGKRZSA-N
MW215.34 g/mol
LogP1.77
Rot. Bonds7

About N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (PubChem CID 100735189) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
PubChem CID100735189
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESCC(C)COCCN(C)C[C@@H]1CCCO1
InChIInChI=1S/C12H25NO2/c1-11(2)10-14-8-6-13(3)9-12-5-4-7-15-12/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyLWSJPZIISYZHFT-LBPRGKRZSA-N
XLogP1.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine 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 N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (CID 100735189) is N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is CC(C)COCCN(C)C[C@@H]1CCCO1.
What is the InChIKey of N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is LWSJPZIISYZHFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)10-14-8-6-13(3)9-12-5-4-7-15-12/h11-12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 100735189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).