N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine

C12H24N4 — CID 63025130

IUPACN-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCCNCC(C)CN(C)Cc1nccn1C
InChIInChI=1S/C12H24N4/c1-5-13-8-11(2)9-15(3)10-12-14-6-7-16(12)4/h6-7,11,13H,5,8-10H2,1-4H3
InChIKeyXYQGRSDTRTZVSX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds7

About N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine

N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine (PubChem CID 63025130) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
PubChem CID63025130
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCCNCC(C)CN(C)Cc1nccn1C
InChIInChI=1S/C12H24N4/c1-5-13-8-11(2)9-15(3)10-12-14-6-7-16(12)4/h6-7,11,13H,5,8-10H2,1-4H3
InChIKeyXYQGRSDTRTZVSX-UHFFFAOYSA-N
XLogP1.10
TPSA33.09 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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 64666233
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanethioamide
CID 63015012
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528215
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 116679986
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013801

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine (CID 63025130) is N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine is CCNCC(C)CN(C)Cc1nccn1C.
What is the InChIKey of N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is XYQGRSDTRTZVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-13-8-11(2)9-15(3)10-12-14-6-7-16(12)4/h6-7,11,13H,5,8-10H2,1-4H3.
What are the key properties of N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine?
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63025130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).