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

C9H22N2O — CID 145029071

IUPACN,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane
SMILESCC.CNCCN(C)C1COC1
InChIInChI=1S/C7H16N2O.C2H6/c1-8-3-4-9(2)7-5-10-6-7;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyQKUHIJVFGFEPFP-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.56
Rot. Bonds4

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

N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane (PubChem CID 145029071) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane
PubChem CID145029071
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane
SMILESCC.CNCCN(C)C1COC1
InChIInChI=1S/C7H16N2O.C2H6/c1-8-3-4-9(2)7-5-10-6-7;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyQKUHIJVFGFEPFP-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-ethyl-N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine
CID 145006607
N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine
CID 112682555
N,N'-dimethyl-N'-(3-methylcyclopentyl)ethane-1,2-diamine
CID 64514284
N,N-dimethyloxetan-3-amine;ethane
CID 142330300
N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine
CID 145216933
N-(cyclopropylmethyl)-N-methyloxetan-3-amine
CID 123685252
N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82739830
N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 107149958
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine
CID 176757767
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane?
The IUPAC name of N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane (CID 145029071) is N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane.
What is the SMILES notation for N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane?
The canonical SMILES for N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane is CC.CNCCN(C)C1COC1.
What is the InChIKey of N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane?
The InChIKey is QKUHIJVFGFEPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2H6/c1-8-3-4-9(2)7-5-10-6-7;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane?
N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane has a molecular weight of 174.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane is sourced from PubChem (CID 145029071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).