N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine

C14H30N2O — CID 114621224

IUPACN'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
SMILESCCN(CC(C)CN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H30N2O/c1-7-16(10-11(2)9-15)12-8-13(3,4)17-14(12,5)6/h11-12H,7-10,15H2,1-6H3
InChIKeyOEYDBSUCAFEABQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds5

About N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine

N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine (PubChem CID 114621224) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
PubChem CID114621224
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
SMILESCCN(CC(C)CN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H30N2O/c1-7-16(10-11(2)9-15)12-8-13(3,4)17-14(12,5)6/h11-12H,7-10,15H2,1-6H3
InChIKeyOEYDBSUCAFEABQ-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine (CID 114621224) is N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine is CCN(CC(C)CN)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
The InChIKey is OEYDBSUCAFEABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-7-16(10-11(2)9-15)12-8-13(3,4)17-14(12,5)6/h11-12H,7-10,15H2,1-6H3.
What are the key properties of N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methyl-N'-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 114621224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).