2,3-dimethylbutane-2,3-diamine;4-methylmorpholine

C11H27N3O — CID 175487016

IUPAC2,3-dimethylbutane-2,3-diamine;4-methylmorpholine
SMILESCC(C)(N)C(C)(C)N.CN1CCOCC1
InChIInChI=1S/C6H16N2.C5H11NO/c1-5(2,7)6(3,4)8;1-6-2-4-7-5-3-6/h7-8H2,1-4H3;2-5H2,1H3
InChIKeyMAALBITZHDUMPG-UHFFFAOYSA-N
MW217.36 g/mol
LogP0.41
Rot. Bonds1

About 2,3-dimethylbutane-2,3-diamine;4-methylmorpholine

2,3-dimethylbutane-2,3-diamine;4-methylmorpholine (PubChem CID 175487016) has the molecular formula C11H27N3O and a molecular weight of 217.36 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diamine;4-methylmorpholine.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diamine;4-methylmorpholine
PubChem CID175487016
Molecular FormulaC11H27N3O
Molecular Weight217.36 g/mol
Exact Mass217.22
IUPAC Name2,3-dimethylbutane-2,3-diamine;4-methylmorpholine
SMILESCC(C)(N)C(C)(C)N.CN1CCOCC1
InChIInChI=1S/C6H16N2.C5H11NO/c1-5(2,7)6(3,4)8;1-6-2-4-7-5-3-6/h7-8H2,1-4H3;2-5H2,1H3
InChIKeyMAALBITZHDUMPG-UHFFFAOYSA-N
XLogP0.41
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6612303
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butane;bis(4-methylmorpholine)
CID 159010392
1,4-dimethylpiperazine;methanamine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 158044460
7-methyl-1,4,7-dioxazecane
CID 59020799
4,13-dimethyl-7,10,19,24-tetraoxa-1,4,13,16-tetrazabicyclo[14.5.5]hexacosane
CID 174301861
4-methylmorpholine;sulfuric acid
CID 146295231
4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 153371912
ethane;4-methylmorpholine;1-methylpiperazine
CID 143410242
4-methylmorpholine;4-methyl-1,4-oxazepane;1-methylpyrrolidine;bis(4-methylthiomorpholine)
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CID 142858487

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2,3-diamine;4-methylmorpholine?
The IUPAC name of 2,3-dimethylbutane-2,3-diamine;4-methylmorpholine (CID 175487016) is 2,3-dimethylbutane-2,3-diamine;4-methylmorpholine.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diamine;4-methylmorpholine?
The canonical SMILES for 2,3-dimethylbutane-2,3-diamine;4-methylmorpholine is CC(C)(N)C(C)(C)N.CN1CCOCC1.
What is the InChIKey of 2,3-dimethylbutane-2,3-diamine;4-methylmorpholine?
The InChIKey is MAALBITZHDUMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C5H11NO/c1-5(2,7)6(3,4)8;1-6-2-4-7-5-3-6/h7-8H2,1-4H3;2-5H2,1H3.
What are the key properties of 2,3-dimethylbutane-2,3-diamine;4-methylmorpholine?
2,3-dimethylbutane-2,3-diamine;4-methylmorpholine has a molecular weight of 217.36 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diamine;4-methylmorpholine is sourced from PubChem (CID 175487016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).