4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine

C12H26N2O2 — CID 66235305

IUPAC4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine
SMILESCOCCN(CC(C)C)CC1COCC1N
InChIInChI=1S/C12H26N2O2/c1-10(2)6-14(4-5-15-3)7-11-8-16-9-12(11)13/h10-12H,4-9,13H2,1-3H3
InChIKeyJGKSHTJGDPEHBS-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.56
Rot. Bonds7

About 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine

4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine (PubChem CID 66235305) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine
PubChem CID66235305
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine
SMILESCOCCN(CC(C)C)CC1COCC1N
InChIInChI=1S/C12H26N2O2/c1-10(2)6-14(4-5-15-3)7-11-8-16-9-12(11)13/h10-12H,4-9,13H2,1-3H3
InChIKeyJGKSHTJGDPEHBS-UHFFFAOYSA-N
XLogP0.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]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 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine (CID 66235305) is 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine is COCCN(CC(C)C)CC1COCC1N.
What is the InChIKey of 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine?
The InChIKey is JGKSHTJGDPEHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)6-14(4-5-15-3)7-11-8-16-9-12(11)13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine?
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine has a molecular weight of 230.35 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66235305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).