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

C8H20N2 — CID 79812843

IUPAC2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine
SMILESCCC(N)(CC)CN(C)C
InChIInChI=1S/C8H20N2/c1-5-8(9,6-2)7-10(3)4/h5-7,9H2,1-4H3
InChIKeyKMTWIGUQGBDVBR-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.07
Rot. Bonds4

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

2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine (PubChem CID 79812843) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine
PubChem CID79812843
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine
SMILESCCC(N)(CC)CN(C)C
InChIInChI=1S/C8H20N2/c1-5-8(9,6-2)7-10(3)4/h5-7,9H2,1-4H3
InChIKeyKMTWIGUQGBDVBR-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine (CID 79812843) is 2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine is CCC(N)(CC)CN(C)C.
What is the InChIKey of 2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine?
The InChIKey is KMTWIGUQGBDVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-5-8(9,6-2)7-10(3)4/h5-7,9H2,1-4H3.
What are the key properties of 2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine?
2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N,1-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 79812843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).