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

C13H28N2O — CID 66235301

IUPAC4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine
SMILESCC(C)CN(CC(C)C)CC1COCC1N
InChIInChI=1S/C13H28N2O/c1-10(2)5-15(6-11(3)4)7-12-8-16-9-13(12)14/h10-13H,5-9,14H2,1-4H3
InChIKeyYMUOXROMRGVQIH-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.57
Rot. Bonds6

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

4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine (PubChem CID 66235301) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine
PubChem CID66235301
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine
SMILESCC(C)CN(CC(C)C)CC1COCC1N
InChIInChI=1S/C13H28N2O/c1-10(2)5-15(6-11(3)4)7-12-8-16-9-13(12)14/h10-13H,5-9,14H2,1-4H3
InChIKeyYMUOXROMRGVQIH-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine (CID 66235301) is 4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine is CC(C)CN(CC(C)C)CC1COCC1N.
What is the InChIKey of 4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine?
The InChIKey is YMUOXROMRGVQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)5-15(6-11(3)4)7-12-8-16-9-13(12)14/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine?
4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methylpropyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66235301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).