2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine

C7H14N4 — CID 82416536

IUPAC2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1ncc[nH]1
InChIInChI=1S/C7H14N4/c1-6(5-8)11(2)7-9-3-4-10-7/h3-4,6H,5,8H2,1-2H3,(H,9,10)
InChIKeyLHTYNCILZOQQND-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.19
Rot. Bonds3

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

2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 82416536) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine
PubChem CID82416536
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1ncc[nH]1
InChIInChI=1S/C7H14N4/c1-6(5-8)11(2)7-9-3-4-10-7/h3-4,6H,5,8H2,1-2H3,(H,9,10)
InChIKeyLHTYNCILZOQQND-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-aminopropan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114571498
N'-ethyl-N'-(1H-imidazol-2-yl)ethane-1,2-diamine
CID 106553953
N-[1-(2,2-dimethylcyclopropyl)ethyl]-N-methyl-1H-imidazol-2-amine
CID 130971947
2-N-methyl-2-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 104556690
3-[4-aminobutan-2-yl(methyl)amino]-1H-pyrazin-2-one
CID 114570641
N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine
CID 67605927
1,1,2,2-tetrakis(1H-imidazol-2-yl)hydrazine
CID 163931759
2-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine
CID 82503810
N-ethenyl-N-methyl-1H-imidazol-2-amine
CID 144672162
2-N-(3-chloro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 104556751
2-N-(3-fluoro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 83828629
2-N-(4-ethoxypyrimidin-2-yl)-2-N-methylpropane-1,2-diamine
CID 104556767

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine (CID 82416536) is 2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine is CC(CN)N(C)c1ncc[nH]1.
What is the InChIKey of 2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is LHTYNCILZOQQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-6(5-8)11(2)7-9-3-4-10-7/h3-4,6H,5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine?
2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 154.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-imidazol-2-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 82416536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).