N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine

C13H26N4 — CID 106552783

IUPACN'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCCCCn1cc(CC)nc1N(C)CCNC
InChIInChI=1S/C13H26N4/c1-5-7-9-17-11-12(6-2)15-13(17)16(4)10-8-14-3/h11,14H,5-10H2,1-4H3
InChIKeyHQMRZOAOVHKNEY-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.90
Rot. Bonds8

About N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine

N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 106552783) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID106552783
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCCCCn1cc(CC)nc1N(C)CCNC
InChIInChI=1S/C13H26N4/c1-5-7-9-17-11-12(6-2)15-13(17)16(4)10-8-14-3/h11,14H,5-10H2,1-4H3
InChIKeyHQMRZOAOVHKNEY-UHFFFAOYSA-N
XLogP1.90
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine
CID 106553597
N'-(1-cyclopentyl-4-ethylimidazol-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 106553234
N'-[4-ethyl-1-(2-methoxyethyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine
CID 106553611
N'-(1,4-diethylimidazol-2-yl)-N'-methylethane-1,2-diamine
CID 106552475
N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine
CID 106553237
1,4-diethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazol-2-amine
CID 106552617
N,N'-dimethyl-N'-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]ethane-1,2-diamine
CID 106552757
N'-ethyl-N'-(4-ethyl-1-propylimidazol-2-yl)ethane-1,2-diamine
CID 106553982
N'-(1-cyclopropylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 106552756
N'-(1-cyclohexyl-4-ethylimidazol-2-yl)-N'-methylpropane-1,3-diamine
CID 106553612
1-butyl-2,4-dimethylimidazole
CID 69009415
1,4-diethyl-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
CID 106553023

Frequently Asked Questions

What is the IUPAC name of N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine (CID 106552783) is N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine is CCCCn1cc(CC)nc1N(C)CCNC.
What is the InChIKey of N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is HQMRZOAOVHKNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-7-9-17-11-12(6-2)15-13(17)16(4)10-8-14-3/h11,14H,5-10H2,1-4H3.
What are the key properties of N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 106552783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).