1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine

C9H18N4 — CID 79092901

IUPAC1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCn1ccnc1C(N)CN(C)C
InChIInChI=1S/C9H18N4/c1-4-13-6-5-11-9(13)8(10)7-12(2)3/h5-6,8H,4,7,10H2,1-3H3
InChIKeyZIXOCQMBQSEWTC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.46
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine

1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 79092901) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID79092901
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCn1ccnc1C(N)CN(C)C
InChIInChI=1S/C9H18N4/c1-4-13-6-5-11-9(13)8(10)7-12(2)3/h5-6,8H,4,7,10H2,1-3H3
InChIKeyZIXOCQMBQSEWTC-UHFFFAOYSA-N
XLogP0.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
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CID 65138714
2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine
CID 116661175
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
1-(1-ethylimidazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 63970215
3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol
CID 63215997
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
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CID 63759365

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine (CID 79092901) is 1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine is CCn1ccnc1C(N)CN(C)C.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is ZIXOCQMBQSEWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-13-6-5-11-9(13)8(10)7-12(2)3/h5-6,8H,4,7,10H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 79092901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).