1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine

C18H40N4 — CID 172697863

IUPAC1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine
SMILESCCC1CN(C)C(CC)N1C.CCC1CN(CC)C(C)N1C
InChIInChI=1S/2C9H20N2/c1-5-8-7-10(3)9(6-2)11(8)4;1-5-9-7-11(6-2)8(3)10(9)4/h2*8-9H,5-7H2,1-4H3
InChIKeyCOHAINNBSPMROQ-UHFFFAOYSA-N
MW312.55 g/mol
LogP2.76
Rot. Bonds4

About 1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine

1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine (PubChem CID 172697863) has the molecular formula C18H40N4 and a molecular weight of 312.55 g/mol. Its IUPAC name is 1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine.

Molecular Properties

Compound Name1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine
PubChem CID172697863
Molecular FormulaC18H40N4
Molecular Weight312.55 g/mol
Exact Mass312.33
IUPAC Name1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine
SMILESCCC1CN(C)C(CC)N1C.CCC1CN(CC)C(C)N1C
InChIInChI=1S/2C9H20N2/c1-5-8-7-10(3)9(6-2)11(8)4;1-5-9-7-11(6-2)8(3)10(9)4/h2*8-9H,5-7H2,1-4H3
InChIKeyCOHAINNBSPMROQ-UHFFFAOYSA-N
XLogP2.76
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1,3,4-trimethylimidazolidine
CID 66739096
2,6-diethyl-1,4-dimethylpiperazine
CID 21389198
(2S,5R)-2-ethyl-1-iodo-4,5-dimethylpiperazine
CID 170290356
2-ethyl-1,3-dimethylimidazolidine;1,2,3,4-tetramethylimidazolidine
CID 172752563
1-ethyl-2,3-dimethylimidazolidine;hydrochloride
CID 174740578
3-tert-butyl-1-ethyl-2,4-dimethylimidazolidine
CID 151626328
(1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane
CID 142440717
azane;1,2-diethylazetidine;dihydrochloride
CID 175211859
(2S,4R)-2,4-diethyl-1-methylpyrrolidine
CID 176937833
2,7-diethyl-1-methylazepane
CID 146499185
1,3-diethyl-2-methyl-1,3-diazinane
CID 12634508
1,5-dimethyl-2-(2-methylpropyl)-4-propylpiperazine
CID 70794935

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine?
The IUPAC name of 1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine (CID 172697863) is 1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine.
What is the SMILES notation for 1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine?
The canonical SMILES for 1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine is CCC1CN(C)C(CC)N1C.CCC1CN(CC)C(C)N1C.
What is the InChIKey of 1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine?
The InChIKey is COHAINNBSPMROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N2/c1-5-8-7-10(3)9(6-2)11(8)4;1-5-9-7-11(6-2)8(3)10(9)4/h2*8-9H,5-7H2,1-4H3.
What are the key properties of 1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine?
1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine has a molecular weight of 312.55 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2,3-dimethylimidazolidine;2,4-diethyl-1,3-dimethylimidazolidine is sourced from PubChem (CID 172697863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).