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

C12H24N4 — CID 106251952

IUPAC2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine
SMILESCCn1ccnc1NCC(CC)(CC)CN
InChIInChI=1S/C12H24N4/c1-4-12(5-2,9-13)10-15-11-14-7-8-16(11)6-3/h7-8H,4-6,9-10,13H2,1-3H3,(H,14,15)
InChIKeyDXEQJFBNNIBOSU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.08
Rot. Bonds7

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

2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine (PubChem CID 106251952) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine
PubChem CID106251952
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine
SMILESCCn1ccnc1NCC(CC)(CC)CN
InChIInChI=1S/C12H24N4/c1-4-12(5-2,9-13)10-15-11-14-7-8-16(11)6-3/h7-8H,4-6,9-10,13H2,1-3H3,(H,14,15)
InChIKeyDXEQJFBNNIBOSU-UHFFFAOYSA-N
XLogP2.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142947
3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115360823
3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278377
2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 106251859
1-ethyl-N-octylimidazol-2-amine
CID 115568972
2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide
CID 62139157
N-(2-chloro-4,4-dimethylpentyl)-1-ethylimidazol-2-amine
CID 107156123
4-[(1-ethylimidazol-2-yl)amino]butan-1-ol
CID 106842674
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 106251724
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
3-[(1-ethylimidazol-2-yl)amino]propane-1-sulfonamide
CID 62137676
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine (CID 106251952) is 2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine is CCn1ccnc1NCC(CC)(CC)CN.
What is the InChIKey of 2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine?
The InChIKey is DXEQJFBNNIBOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-12(5-2,9-13)10-15-11-14-7-8-16(11)6-3/h7-8H,4-6,9-10,13H2,1-3H3,(H,14,15).
What are the key properties of 2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine?
2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 106251952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).