ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole

C8H18N2 — CID 144735707

IUPACethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole
SMILESCC.CC[C@H]1CN=C(C)N1
InChIInChI=1S/C6H12N2.C2H6/c1-3-6-4-7-5(2)8-6;1-2/h6H,3-4H2,1-2H3,(H,7,8);1-2H3/t6-;/m0./s1
InChIKeyZPMKIXINMFMGDI-RGMNGODLSA-N
MW142.25 g/mol
LogP1.81
Rot. Bonds1

About ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole

ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole (PubChem CID 144735707) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Nameethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole
PubChem CID144735707
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole
SMILESCC.CC[C@H]1CN=C(C)N1
InChIInChI=1S/C6H12N2.C2H6/c1-3-6-4-7-5(2)8-6;1-2/h6H,3-4H2,1-2H3,(H,7,8);1-2H3/t6-;/m0./s1
InChIKeyZPMKIXINMFMGDI-RGMNGODLSA-N
XLogP1.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;4-ethyl-3,5-dimethyl-4H-pyrazole
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3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one
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CID 58801114
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145
2,5-dibutyl-4,5-dihydro-1H-imidazole
CID 88688688
2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole
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2-ethylpiperidine;hydrobromide
CID 131717239
4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 12791710

Frequently Asked Questions

What is the IUPAC name of ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole?
The IUPAC name of ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole (CID 144735707) is ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole is CC.CC[C@H]1CN=C(C)N1.
What is the InChIKey of ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole?
The InChIKey is ZPMKIXINMFMGDI-RGMNGODLSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-3-6-4-7-5(2)8-6;1-2/h6H,3-4H2,1-2H3,(H,7,8);1-2H3/t6-;/m0./s1.
What are the key properties of ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole?
ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole has a molecular weight of 142.25 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5S)-5-ethyl-2-methyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 144735707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).