N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine

C13H26N4 — CID 79087528

IUPACN',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1nccn1CC
InChIInChI=1S/C13H26N4/c1-5-16(6-2)10-8-12(14-4)13-15-9-11-17(13)7-3/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyWEHJMFNVIFNULD-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.90
Rot. Bonds8

About N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine

N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine (PubChem CID 79087528) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine
PubChem CID79087528
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1nccn1CC
InChIInChI=1S/C13H26N4/c1-5-16(6-2)10-8-12(14-4)13-15-9-11-17(13)7-3/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyWEHJMFNVIFNULD-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

1-(1-ethylimidazol-2-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 115860234
1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
CID 79762134
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
1-(1-ethylimidazol-2-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115860096
1-(1-ethylimidazol-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215345
2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 115860135
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine
CID 79760507
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine
CID 63967928
1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 63967719
1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62562672

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine (CID 79087528) is N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine is CCN(CC)CCC(NC)c1nccn1CC.
What is the InChIKey of N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine?
The InChIKey is WEHJMFNVIFNULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-16(6-2)10-8-12(14-4)13-15-9-11-17(13)7-3/h9,11-12,14H,5-8,10H2,1-4H3.
What are the key properties of N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine?
N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-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',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 79087528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).