N'-(2-ethylbutyl)ethane-1,2-diamine

C8H20N2 — CID 59135539

IUPACN'-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCC(CC)CNCCN
InChIInChI=1S/C8H20N2/c1-3-8(4-2)7-10-6-5-9/h8,10H,3-7,9H2,1-2H3
InChIKeyGTFLEZOKQPUEOU-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds6

About N'-(2-ethylbutyl)ethane-1,2-diamine

N'-(2-ethylbutyl)ethane-1,2-diamine (PubChem CID 59135539) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N'-(2-ethylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethylbutyl)ethane-1,2-diamine
PubChem CID59135539
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN'-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCC(CC)CNCCN
InChIInChI=1S/C8H20N2/c1-3-8(4-2)7-10-6-5-9/h8,10H,3-7,9H2,1-2H3
InChIKeyGTFLEZOKQPUEOU-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethylbutyl)ethane-1,2-diamine (CID 59135539) is N'-(2-ethylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethylbutyl)ethane-1,2-diamine is CCC(CC)CNCCN.
What is the InChIKey of N'-(2-ethylbutyl)ethane-1,2-diamine?
The InChIKey is GTFLEZOKQPUEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-3-8(4-2)7-10-6-5-9/h8,10H,3-7,9H2,1-2H3.
What are the key properties of N'-(2-ethylbutyl)ethane-1,2-diamine?
N'-(2-ethylbutyl)ethane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 59135539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).