2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine

C13H28N2O — CID 82743370

IUPAC2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-5-13(6-2,10-14-3)11-15(4)12-7-8-16-9-12/h12,14H,5-11H2,1-4H3
InChIKeyYUTWCUVBSKEHNC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

About 2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine

2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine (PubChem CID 82743370) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
PubChem CID82743370
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-5-13(6-2,10-14-3)11-15(4)12-7-8-16-9-12/h12,14H,5-11H2,1-4H3
InChIKeyYUTWCUVBSKEHNC-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine (CID 82743370) is 2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine is CCC(CC)(CNC)CN(C)C1CCOC1.
What is the InChIKey of 2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The InChIKey is YUTWCUVBSKEHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(6-2,10-14-3)11-15(4)12-7-8-16-9-12/h12,14H,5-11H2,1-4H3.
What are the key properties of 2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 82743370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).