1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine

C37H76N8 — CID 157465619

IUPAC1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine
SMILESC.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1.CN1CCCC1.Cc1cn(C)cn1.Cn1cccc1
InChIInChI=1S/C7H16N2.2C7H15N.C5H8N2.C5H11N.C5H7N.CH4/c1-3-9-6-4-8(2)5-7-9;2*1-2-8-6-4-3-5-7-8;1-5-3-7(2)4-6-5;2*1-6-4-2-3-5-6;/h3-7H2,1-2H3;2*2-7H2,1H3;3-4H,1-2H3;2-5H2,1H3;2-5H,1H3;1H4
InChIKeyBULARXXHNUSZNK-UHFFFAOYSA-N
MW633.07 g/mol
LogP6.34
Rot. Bonds3

About 1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine

1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine (PubChem CID 157465619) has the molecular formula C37H76N8 and a molecular weight of 633.07 g/mol. Its IUPAC name is 1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine
PubChem CID157465619
Molecular FormulaC37H76N8
Molecular Weight633.07 g/mol
Exact Mass632.62
IUPAC Name1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine
SMILESC.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1.CN1CCCC1.Cc1cn(C)cn1.Cn1cccc1
InChIInChI=1S/C7H16N2.2C7H15N.C5H8N2.C5H11N.C5H7N.CH4/c1-3-9-6-4-8(2)5-7-9;2*1-2-8-6-4-3-5-7-8;1-5-3-7(2)4-6-5;2*1-6-4-2-3-5-6;/h3-7H2,1-2H3;2*2-7H2,1H3;3-4H,1-2H3;2-5H2,1H3;2-5H,1H3;1H4
InChIKeyBULARXXHNUSZNK-UHFFFAOYSA-N
XLogP6.34
TPSA38.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.07
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine?
The IUPAC name of 1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine (CID 157465619) is 1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine is C.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1.CN1CCCC1.Cc1cn(C)cn1.Cn1cccc1.
What is the InChIKey of 1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine?
The InChIKey is BULARXXHNUSZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.2C7H15N.C5H8N2.C5H11N.C5H7N.CH4/c1-3-9-6-4-8(2)5-7-9;2*1-2-8-6-4-3-5-7-8;1-5-3-7(2)4-6-5;2*1-6-4-2-3-5-6;/h3-7H2,1-2H3;2*2-7H2,1H3;3-4H,1-2H3;2-5H2,1H3;2-5H,1H3;1H4.
What are the key properties of 1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine?
1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine has a molecular weight of 633.07 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine is sourced from PubChem (CID 157465619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).