1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine

C7H14N4 — CID 90852365

IUPAC1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1ncc[nH]1
InChIInChI=1S/C7H14N4/c1-11(2)5-6(8)7-9-3-4-10-7/h3-4,6H,5,8H2,1-2H3,(H,9,10)
InChIKeyPGMSAJKFEMNVRP-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.03
Rot. Bonds3

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

1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 90852365) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID90852365
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1ncc[nH]1
InChIInChI=1S/C7H14N4/c1-11(2)5-6(8)7-9-3-4-10-7/h3-4,6H,5,8H2,1-2H3,(H,9,10)
InChIKeyPGMSAJKFEMNVRP-UHFFFAOYSA-N
XLogP-0.03
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine (CID 90852365) is 1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CC(N)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PGMSAJKFEMNVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-11(2)5-6(8)7-9-3-4-10-7/h3-4,6H,5,8H2,1-2H3,(H,9,10).
What are the key properties of 1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 154.22 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 90852365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).