2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine

C12H26N2O — CID 62834091

IUPAC2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine
SMILESCCNC(C)(C)CN(C)C1CCOCC1
InChIInChI=1S/C12H26N2O/c1-5-13-12(2,3)10-14(4)11-6-8-15-9-7-11/h11,13H,5-10H2,1-4H3
InChIKeyPWBWTJQJPUYTHV-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds5

About 2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine

2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine (PubChem CID 62834091) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine
PubChem CID62834091
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine
SMILESCCNC(C)(C)CN(C)C1CCOCC1
InChIInChI=1S/C12H26N2O/c1-5-13-12(2,3)10-14(4)11-6-8-15-9-7-11/h11,13H,5-10H2,1-4H3
InChIKeyPWBWTJQJPUYTHV-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64798350
2-methyl-2-[[methyl(oxan-4-yl)amino]methyl]butanoic acid
CID 62271389
2-ethyl-N,2-dimethyl-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 62257896
2,2-diethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 62258589
N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine
CID 65004978
3,3-dimethyl-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 115220305
N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744178
1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 104744928
1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 115474949
2-ethyl-N,N',2-trimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744251
2-ethyl-2-[[methyl(oxolan-3-yl)amino]methyl]butane-1-thiol
CID 82744856

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine (CID 62834091) is 2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine is CCNC(C)(C)CN(C)C1CCOCC1.
What is the InChIKey of 2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine?
The InChIKey is PWBWTJQJPUYTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-13-12(2,3)10-14(4)11-6-8-15-9-7-11/h11,13H,5-10H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine?
2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine is sourced from PubChem (CID 62834091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).