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

C15H22N4 — CID 55144815

IUPACN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1NCCN(C)Cc1nccn1C
InChIInChI=1S/C15H22N4/c1-13-6-4-5-7-14(13)16-8-10-18(2)12-15-17-9-11-19(15)3/h4-7,9,11,16H,8,10,12H2,1-3H3
InChIKeyDHZBZJVPTYCFRL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.27
Rot. Bonds6

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

N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 55144815) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
PubChem CID55144815
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1NCCN(C)Cc1nccn1C
InChIInChI=1S/C15H22N4/c1-13-6-4-5-7-14(13)16-8-10-18(2)12-15-17-9-11-19(15)3/h4-7,9,11,16H,8,10,12H2,1-3H3
InChIKeyDHZBZJVPTYCFRL-UHFFFAOYSA-N
XLogP2.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)propane-1,3-diamine
CID 63025144
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55144234
1-(2-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025147
N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63026368
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
CID 62555257
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine (CID 55144815) is N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1NCCN(C)Cc1nccn1C.
What is the InChIKey of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is DHZBZJVPTYCFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-13-6-4-5-7-14(13)16-8-10-18(2)12-15-17-9-11-19(15)3/h4-7,9,11,16H,8,10,12H2,1-3H3.
What are the key properties of N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine?
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55144815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).