3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine

C13H28N2O — CID 114621228

IUPAC3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
SMILESCC(CCN)N(C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H28N2O/c1-10(7-8-14)15(6)11-9-12(2,3)16-13(11,4)5/h10-11H,7-9,14H2,1-6H3
InChIKeyYWHBPSFPSHLNLX-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds4

About 3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine

3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine (PubChem CID 114621228) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
PubChem CID114621228
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine
SMILESCC(CCN)N(C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H28N2O/c1-10(7-8-14)15(6)11-9-12(2,3)16-13(11,4)5/h10-11H,7-9,14H2,1-6H3
InChIKeyYWHBPSFPSHLNLX-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine (CID 114621228) is 3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine is CC(CCN)N(C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine?
The InChIKey is YWHBPSFPSHLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(7-8-14)15(6)11-9-12(2,3)16-13(11,4)5/h10-11H,7-9,14H2,1-6H3.
What are the key properties of 3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine?
3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,3-diamine is sourced from PubChem (CID 114621228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).