N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine

C9H18N4 — CID 114525994

IUPACN'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCN(CCN)CCc1nccn1C
InChIInChI=1S/C9H18N4/c1-12(7-4-10)6-3-9-11-5-8-13(9)2/h5,8H,3-4,6-7,10H2,1-2H3
InChIKeyAUEDPTXLMLZTRO-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.15
Rot. Bonds5

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

N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 114525994) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID114525994
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCN(CCN)CCc1nccn1C
InChIInChI=1S/C9H18N4/c1-12(7-4-10)6-3-9-11-5-8-13(9)2/h5,8H,3-4,6-7,10H2,1-2H3
InChIKeyAUEDPTXLMLZTRO-UHFFFAOYSA-N
XLogP-0.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528215
2-[methyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanethioamide
CID 114527904
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
methanamine;1-methyl-2-propylimidazole
CID 164902083
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
CID 77110593
2-ethyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079451

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine (CID 114525994) is N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine is CN(CCN)CCc1nccn1C.
What is the InChIKey of N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is AUEDPTXLMLZTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-12(7-4-10)6-3-9-11-5-8-13(9)2/h5,8H,3-4,6-7,10H2,1-2H3.
What are the key properties of N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine?
N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114525994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).