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

C10H24N2 — CID 19736225

IUPACN'-(2-ethylhexyl)ethane-1,2-diamine
SMILESCCCCC(CC)CNCCN
InChIInChI=1S/C10H24N2/c1-3-5-6-10(4-2)9-12-8-7-11/h10,12H,3-9,11H2,1-2H3
InChIKeyVDQVKPUWSIBXEI-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.75
Rot. Bonds8

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

N'-(2-ethylhexyl)ethane-1,2-diamine (PubChem CID 19736225) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N'-(2-ethylhexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethylhexyl)ethane-1,2-diamine
PubChem CID19736225
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN'-(2-ethylhexyl)ethane-1,2-diamine
SMILESCCCCC(CC)CNCCN
InChIInChI=1S/C10H24N2/c1-3-5-6-10(4-2)9-12-8-7-11/h10,12H,3-9,11H2,1-2H3
InChIKeyVDQVKPUWSIBXEI-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.75
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-ethylhexyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethylhexyl)ethane-1,2-diamine (CID 19736225) is N'-(2-ethylhexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethylhexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethylhexyl)ethane-1,2-diamine is CCCCC(CC)CNCCN.
What is the InChIKey of N'-(2-ethylhexyl)ethane-1,2-diamine?
The InChIKey is VDQVKPUWSIBXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-3-5-6-10(4-2)9-12-8-7-11/h10,12H,3-9,11H2,1-2H3.
What are the key properties of N'-(2-ethylhexyl)ethane-1,2-diamine?
N'-(2-ethylhexyl)ethane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylhexyl)ethane-1,2-diamine is sourced from PubChem (CID 19736225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).