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

C9H18N4 — CID 62586727

IUPACN-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
SMILESCCNCCN(C)c1nccn1C
InChIInChI=1S/C9H18N4/c1-4-10-5-7-12(2)9-11-6-8-13(9)3/h6,8,10H,4-5,7H2,1-3H3
InChIKeyNXYVOQVXAIZOHK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.47
Rot. Bonds5

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

N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine (PubChem CID 62586727) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
PubChem CID62586727
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
SMILESCCNCCN(C)c1nccn1C
InChIInChI=1S/C9H18N4/c1-4-10-5-7-12(2)9-11-6-8-13(9)3/h6,8,10H,4-5,7H2,1-3H3
InChIKeyNXYVOQVXAIZOHK-UHFFFAOYSA-N
XLogP0.47
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.47
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'-(1-methylimidazol-2-yl)ethane-1,2-diamine
CID 62593911
N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528215
N,N-diethyl-1-methylimidazol-2-amine
CID 130557690
N-ethyl-2-(1-methylimidazol-2-yl)sulfanylethanamine;hydrochloride
CID 86262337
2-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293643
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 106878733
N-ethyl-N'-furo[3,2-c]pyridin-4-yl-N'-methylethane-1,2-diamine
CID 106535603
2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 114532016
N'-(1-cyclopropylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 106552756
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115205674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine (CID 62586727) is N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine is CCNCCN(C)c1nccn1C.
What is the InChIKey of N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine?
The InChIKey is NXYVOQVXAIZOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-10-5-7-12(2)9-11-6-8-13(9)3/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.47, 5 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'-(1-methylimidazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62586727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).