N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine

C11H22N4 — CID 84739945

IUPACN,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine
SMILESCCN(CC)C(CNC)c1nc[nH]c1C
InChIInChI=1S/C11H22N4/c1-5-15(6-2)10(7-12-4)11-9(3)13-8-14-11/h8,10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyMOYHUHAHHFYTJV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.32
Rot. Bonds6

About N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine

N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine (PubChem CID 84739945) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine
PubChem CID84739945
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine
SMILESCCN(CC)C(CNC)c1nc[nH]c1C
InChIInChI=1S/C11H22N4/c1-5-15(6-2)10(7-12-4)11-9(3)13-8-14-11/h8,10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyMOYHUHAHHFYTJV-UHFFFAOYSA-N
XLogP1.32
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine (CID 84739945) is N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine is CCN(CC)C(CNC)c1nc[nH]c1C.
What is the InChIKey of N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine?
The InChIKey is MOYHUHAHHFYTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-15(6-2)10(7-12-4)11-9(3)13-8-14-11/h8,10,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine?
N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-methyl-1-(5-methyl-1H-imidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 84739945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).