2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine

C8H20N2 — CID 89484583

IUPAC2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
SMILESCCNC(CNC)C(C)C
InChIInChI=1S/C8H20N2/c1-5-10-8(6-9-4)7(2)3/h7-10H,5-6H2,1-4H3
InChIKeyUHGLPYXYTUSCBJ-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.84
Rot. Bonds5

About 2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine

2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine (PubChem CID 89484583) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
PubChem CID89484583
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
SMILESCCNC(CNC)C(C)C
InChIInChI=1S/C8H20N2/c1-5-10-8(6-9-4)7(2)3/h7-10H,5-6H2,1-4H3
InChIKeyUHGLPYXYTUSCBJ-UHFFFAOYSA-N
XLogP0.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine (CID 89484583) is 2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine is CCNC(CNC)C(C)C.
What is the InChIKey of 2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine?
The InChIKey is UHGLPYXYTUSCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-5-10-8(6-9-4)7(2)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine?
2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 89484583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).