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

C13H28N2O — CID 66263782

IUPAC4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine
SMILESCC(C)CN(CC1(C)COCC1N)C(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)6-15(11(3)4)8-13(5)9-16-7-12(13)14/h10-12H,6-9,14H2,1-5H3
InChIKeyJOIOGGFUABDTFZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds5

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

4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine (PubChem CID 66263782) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine
PubChem CID66263782
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine
SMILESCC(C)CN(CC1(C)COCC1N)C(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)6-15(11(3)4)8-13(5)9-16-7-12(13)14/h10-12H,6-9,14H2,1-5H3
InChIKeyJOIOGGFUABDTFZ-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine (CID 66263782) is 4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine is CC(C)CN(CC1(C)COCC1N)C(C)C.
What is the InChIKey of 4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine?
The InChIKey is JOIOGGFUABDTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)6-15(11(3)4)8-13(5)9-16-7-12(13)14/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine?
4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66263782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).