N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine

C11H22N4 — CID 114528215

IUPACN-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCCNCCN(C)CCc1nccn1C
InChIInChI=1S/C11H22N4/c1-4-12-6-9-14(2)8-5-11-13-7-10-15(11)3/h7,10,12H,4-6,8-9H2,1-3H3
InChIKeyZPIFRWXXFUSAJE-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.50
Rot. Bonds7

About N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine

N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 114528215) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID114528215
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCCNCCN(C)CCc1nccn1C
InChIInChI=1S/C11H22N4/c1-4-12-6-9-14(2)8-5-11-13-7-10-15(11)3/h7,10,12H,4-6,8-9H2,1-3H3
InChIKeyZPIFRWXXFUSAJE-UHFFFAOYSA-N
XLogP0.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242
N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114525994
N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
CID 62586727
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
azane;1-methyl-2-propylimidazole
CID 174525892
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55144234
2-[methyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanethioamide
CID 114527904
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine (CID 114528215) is N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine is CCNCCN(C)CCc1nccn1C.
What is the InChIKey of N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is ZPIFRWXXFUSAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-12-6-9-14(2)8-5-11-13-7-10-15(11)3/h7,10,12H,4-6,8-9H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114528215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).