N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine

C12H29N3 — CID 3023073

IUPACN'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine
SMILESCCCCC(CC)CNCCNCCN
InChIInChI=1S/C12H29N3/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12,14-15H,3-11,13H2,1-2H3
InChIKeyCEZLLTCGOGRYHF-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.34
Rot. Bonds11

About N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine

N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine (PubChem CID 3023073) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine
PubChem CID3023073
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine
SMILESCCCCC(CC)CNCCNCCN
InChIInChI=1S/C12H29N3/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12,14-15H,3-11,13H2,1-2H3
InChIKeyCEZLLTCGOGRYHF-UHFFFAOYSA-N
XLogP1.34
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-ethylhexylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine (CID 3023073) is N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine is CCCCC(CC)CNCCNCCN.
What is the InChIKey of N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine?
The InChIKey is CEZLLTCGOGRYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12,14-15H,3-11,13H2,1-2H3.
What are the key properties of N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine?
N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.34, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethylhexylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 3023073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).