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

C11H22N4 — CID 62747971

IUPACN',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1nc[nH]c1C
InChIInChI=1S/C11H22N4/c1-4-15(5-2)7-6-12-8-11-10(3)13-9-14-11/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyLCTGWRXCZHBHDK-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds7

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

N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 62747971) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID62747971
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1nc[nH]c1C
InChIInChI=1S/C11H22N4/c1-4-15(5-2)7-6-12-8-11-10(3)13-9-14-11/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyLCTGWRXCZHBHDK-UHFFFAOYSA-N
XLogP1.15
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1H-imidazol-4-yl)methyl]-N',N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]ethane-1,2-diamine
CID 102599835
N',N'-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]butane-1,4-diamine
CID 62743967
N'-cyclopentyl-N'-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
CID 63314418
2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol
CID 65102733
3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904405
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395888
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106324757
1-methoxy-4-[(5-methyl-1H-imidazol-4-yl)methylamino]butan-2-ol
CID 106245176
2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62748309
ethyl 2-[(5-methyl-1H-imidazol-4-yl)methylamino]acetate
CID 62742479
2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol
CID 106251314
N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
CID 46784144

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (CID 62747971) is N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is CCN(CC)CCNCc1nc[nH]c1C.
What is the InChIKey of N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is LCTGWRXCZHBHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-15(5-2)7-6-12-8-11-10(3)13-9-14-11/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62747971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).