2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine

C12H24N4 — CID 63015333

IUPAC2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
SMILESCCCCC(CN)N(C)Cc1nccn1C
InChIInChI=1S/C12H24N4/c1-4-5-6-11(9-13)16(3)10-12-14-7-8-15(12)2/h7-8,11H,4-6,9-10,13H2,1-3H3
InChIKeyYJIYONDWMUXDRJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.37
Rot. Bonds7

About 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine

2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine (PubChem CID 63015333) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
PubChem CID63015333
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
SMILESCCCCC(CN)N(C)Cc1nccn1C
InChIInChI=1S/C12H24N4/c1-4-5-6-11(9-13)16(3)10-12-14-7-8-15(12)2/h7-8,11H,4-6,9-10,13H2,1-3H3
InChIKeyYJIYONDWMUXDRJ-UHFFFAOYSA-N
XLogP1.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 103226455
1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
CID 83054407
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-ethyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079451
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 61438594
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
CID 63025005
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63013919

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine (CID 63015333) is 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine is CCCCC(CN)N(C)Cc1nccn1C.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine?
The InChIKey is YJIYONDWMUXDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-5-6-11(9-13)16(3)10-12-14-7-8-15(12)2/h7-8,11H,4-6,9-10,13H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine?
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine is sourced from PubChem (CID 63015333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).