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

C16H34N2O — CID 114623234

IUPAC1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine
SMILESCCC(C)(C(NC)C1CC(C)(C)OC1(C)C)N(C)C
InChIInChI=1S/C16H34N2O/c1-10-16(6,18(8)9)13(17-7)12-11-14(2,3)19-15(12,4)5/h12-13,17H,10-11H2,1-9H3
InChIKeyRSXRJGHCSJHITC-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds5

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

1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine (PubChem CID 114623234) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine
PubChem CID114623234
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine
SMILESCCC(C)(C(NC)C1CC(C)(C)OC1(C)C)N(C)C
InChIInChI=1S/C16H34N2O/c1-10-16(6,18(8)9)13(17-7)12-11-14(2,3)19-15(12,4)5/h12-13,17H,10-11H2,1-9H3
InChIKeyRSXRJGHCSJHITC-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine (CID 114623234) is 1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine is CCC(C)(C(NC)C1CC(C)(C)OC1(C)C)N(C)C.
What is the InChIKey of 1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine?
The InChIKey is RSXRJGHCSJHITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-10-16(6,18(8)9)13(17-7)12-11-14(2,3)19-15(12,4)5/h12-13,17H,10-11H2,1-9H3.
What are the key properties of 1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine?
1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N,2-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 114623234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).