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

C13H28N2O — CID 82744178

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

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

N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine (PubChem CID 82744178) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
PubChem CID82744178
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCCNCC(C)(CC)CN(C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-5-13(3,10-14-6-2)11-15(4)12-7-8-16-9-12/h12,14H,5-11H2,1-4H3
InChIKeyPTPRVTSXNDPCPI-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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Related Compounds

N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 55051396
2-ethyl-N,N',2-trimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744251
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxolan-3-yl)-2-propylpropane-1,3-diamine
CID 82743616
2-ethyl-N,2-dimethyl-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 62257896
2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743370
2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butane-1-thiol
CID 82744856
2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]cyclohexan-1-ol
CID 102637047
2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butanoic acid
CID 82743302
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 82734279
2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine
CID 62834091
N-cyclopropyl-N',2-diethyl-2-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256566
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine
CID 82754260

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine (CID 82744178) is N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine is CCNCC(C)(CC)CN(C)C1CCOC1.
What is the InChIKey of N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The InChIKey is PTPRVTSXNDPCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(3,10-14-6-2)11-15(4)12-7-8-16-9-12/h12,14H,5-11H2,1-4H3.
What are the key properties of N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
N,2-diethyl-N',2-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 N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 82744178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).