N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine

C7H14N4 — CID 106553953

IUPACN'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine
SMILESCCN(CCN)c1ncc[nH]1
InChIInChI=1S/C7H14N4/c1-2-11(6-3-8)7-9-4-5-10-7/h4-5H,2-3,6,8H2,1H3,(H,9,10)
InChIKeyLPUJFVLWWPJIJK-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.19
Rot. Bonds4

About N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine

N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine (PubChem CID 106553953) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine
PubChem CID106553953
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine
SMILESCCN(CCN)c1ncc[nH]1
InChIInChI=1S/C7H14N4/c1-2-11(6-3-8)7-9-4-5-10-7/h4-5H,2-3,6,8H2,1H3,(H,9,10)
InChIKeyLPUJFVLWWPJIJK-UHFFFAOYSA-N
XLogP0.19
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine (CID 106553953) is N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine is CCN(CCN)c1ncc[nH]1.
What is the InChIKey of N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine?
The InChIKey is LPUJFVLWWPJIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-2-11(6-3-8)7-9-4-5-10-7/h4-5H,2-3,6,8H2,1H3,(H,9,10).
What are the key properties of N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine?
N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine has a molecular weight of 154.22 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106553953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).