2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine

C11H27N3 — CID 166986186

IUPAC2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine
SMILESCCN(C)CN(C)C(C)(C)N(C)CC
InChIInChI=1S/C11H27N3/c1-8-12(5)10-14(7)11(3,4)13(6)9-2/h8-10H2,1-7H3
InChIKeyISBOLEXIXLAPQF-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.52
Rot. Bonds6

About 2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine

2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine (PubChem CID 166986186) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine
PubChem CID166986186
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine
SMILESCCN(C)CN(C)C(C)(C)N(C)CC
InChIInChI=1S/C11H27N3/c1-8-12(5)10-14(7)11(3,4)13(6)9-2/h8-10H2,1-7H3
InChIKeyISBOLEXIXLAPQF-UHFFFAOYSA-N
XLogP1.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine?
The IUPAC name of 2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine (CID 166986186) is 2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine is CCN(C)CN(C)C(C)(C)N(C)CC.
What is the InChIKey of 2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine?
The InChIKey is ISBOLEXIXLAPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-8-12(5)10-14(7)11(3,4)13(6)9-2/h8-10H2,1-7H3.
What are the key properties of 2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine?
2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine has a molecular weight of 201.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine is sourced from PubChem (CID 166986186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).