2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine

C16H34N2O — CID 79917066

IUPAC2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine
SMILESCC(C)CC(CNC1CC(C)(C)OC1(C)C)N(C)C
InChIInChI=1S/C16H34N2O/c1-12(2)9-13(18(7)8)11-17-14-10-15(3,4)19-16(14,5)6/h12-14,17H,9-11H2,1-8H3
InChIKeyKETKLJZPQFEJIB-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds6

About 2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine (PubChem CID 79917066) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine
PubChem CID79917066
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine
SMILESCC(C)CC(CNC1CC(C)(C)OC1(C)C)N(C)C
InChIInChI=1S/C16H34N2O/c1-12(2)9-13(18(7)8)11-17-14-10-15(3,4)19-16(14,5)6/h12-14,17H,9-11H2,1-8H3
InChIKeyKETKLJZPQFEJIB-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine (CID 79917066) is 2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine is CC(C)CC(CNC1CC(C)(C)OC1(C)C)N(C)C.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine?
The InChIKey is KETKLJZPQFEJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-12(2)9-13(18(7)8)11-17-14-10-15(3,4)19-16(14,5)6/h12-14,17H,9-11H2,1-8H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-1-N-(2,2,5,5-tetramethyloxolan-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 79917066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).