1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine

C6H16N2O — CID 174488086

IUPAC1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine
SMILESCC(C)(C)OC(C)(N)N
InChIInChI=1S/C6H16N2O/c1-5(2,3)9-6(4,7)8/h7-8H2,1-4H3
InChIKeyOATQMIVPWIOQND-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.39
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine

1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine (PubChem CID 174488086) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine
PubChem CID174488086
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine
SMILESCC(C)(C)OC(C)(N)N
InChIInChI=1S/C6H16N2O/c1-5(2,3)9-6(4,7)8/h7-8H2,1-4H3
InChIKeyOATQMIVPWIOQND-UHFFFAOYSA-N
XLogP0.39
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-Diaminopropoxy)propane-1,1-diamine
CID 19360642
2-(2-Aminopropan-2-yloxy)propan-2-amine
CID 22446072
2-[(2-Methylpropan-2-yl)oxy]propan-2-amine
CID 144450051
2-[(2-Methylpropan-2-yl)oxy]butan-2-amine
CID 154024106

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine (CID 174488086) is 1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine is CC(C)(C)OC(C)(N)N.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine?
The InChIKey is OATQMIVPWIOQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-5(2,3)9-6(4,7)8/h7-8H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine?
1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine has a molecular weight of 132.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]ethane-1,1-diamine is sourced from PubChem (CID 174488086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).