ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine

C11H26N2O — CID 145006607

IUPACethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine
SMILESCC.CCN(C)CCN(C)C1COC1
InChIInChI=1S/C9H20N2O.C2H6/c1-4-10(2)5-6-11(3)9-7-12-8-9;1-2/h9H,4-8H2,1-3H3;1-2H3
InChIKeyUHEBJLKRKDALND-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.29
Rot. Bonds5

About ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine

ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine (PubChem CID 145006607) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine
PubChem CID145006607
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine
SMILESCC.CCN(C)CCN(C)C1COC1
InChIInChI=1S/C9H20N2O.C2H6/c1-4-10(2)5-6-11(3)9-7-12-8-9;1-2/h9H,4-8H2,1-3H3;1-2H3
InChIKeyUHEBJLKRKDALND-UHFFFAOYSA-N
XLogP1.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclobutyl-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 143404354
N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane
CID 145029071
N-butyl-N-methyloxolan-3-amine
CID 154189060
N,N-dimethyloxetan-3-amine;ethane
CID 142330300
N-(cyclopropylmethyl)-N-methyloxetan-3-amine
CID 123685252
ethane;2-[methyl(oxetan-3-yl)amino]ethanol;2-morpholin-4-ylethanol;propane
CID 177013198
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine
CID 176757767
N,N-dipropyloxetan-3-amine
CID 123858327
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849
N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine
CID 69087813
N-[(E)-but-2-enyl]-N-methyloxetan-3-amine
CID 144509687
2-[methyl(oxetan-3-yl)amino]acetic acid
CID 82417781

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine?
The IUPAC name of ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine (CID 145006607) is ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine?
The canonical SMILES for ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine is CC.CCN(C)CCN(C)C1COC1.
What is the InChIKey of ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine?
The InChIKey is UHEBJLKRKDALND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C2H6/c1-4-10(2)5-6-11(3)9-7-12-8-9;1-2/h9H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine?
ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 145006607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).