4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine

C13H26N2O — CID 79350394

IUPAC4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine
SMILESCC1(C)C(CNCC2COCC2N)C1(C)C
InChIInChI=1S/C13H26N2O/c1-12(2)11(13(12,3)4)6-15-5-9-7-16-8-10(9)14/h9-11,15H,5-8,14H2,1-4H3
InChIKeyWGQXJSHCNDHZKK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.23
Rot. Bonds4

About 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine

4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine (PubChem CID 79350394) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine
PubChem CID79350394
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine
SMILESCC1(C)C(CNCC2COCC2N)C1(C)C
InChIInChI=1S/C13H26N2O/c1-12(2)11(13(12,3)4)6-15-5-9-7-16-8-10(9)14/h9-11,15H,5-8,14H2,1-4H3
InChIKeyWGQXJSHCNDHZKK-UHFFFAOYSA-N
XLogP1.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]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

Related Compounds

1-cyclopropyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylethanamine
CID 55051344
N-[[3-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55051482
N-[[3-[[methyl(pentyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55051580
N-[[3-[[methyl(pentan-3-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55051731
N-[[3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55051876
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 55056335
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 55056402
N-[[3-[[methyl(4-methylpentan-2-yl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55056497
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55061618
N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55256345
1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920455
N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255949

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine (CID 79350394) is 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine is CC1(C)C(CNCC2COCC2N)C1(C)C.
What is the InChIKey of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine?
The InChIKey is WGQXJSHCNDHZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)11(13(12,3)4)6-15-5-9-7-16-8-10(9)14/h9-11,15H,5-8,14H2,1-4H3.
What are the key properties of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine?
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 79350394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).