N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine

C16H24N4 — CID 46985889

IUPACN'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(CCN(C)C)Cc1ncc[nH]1
InChIInChI=1S/C16H24N4/c1-14-6-4-5-7-15(14)12-20(11-10-19(2)3)13-16-17-8-9-18-16/h4-9H,10-13H2,1-3H3,(H,17,18)
InChIKeyOLDCWTQYRLGWFL-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.28
Rot. Bonds7

About N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine

N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 46985889) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID46985889
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(CCN(C)C)Cc1ncc[nH]1
InChIInChI=1S/C16H24N4/c1-14-6-4-5-7-15(14)12-20(11-10-19(2)3)13-16-17-8-9-18-16/h4-9H,10-13H2,1-3H3,(H,17,18)
InChIKeyOLDCWTQYRLGWFL-UHFFFAOYSA-N
XLogP2.28
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride
CID 50988132
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376
2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 137341868
N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 45178863
N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
CID 55285283
N-methyl-N-[(2-methylphenyl)methyl]ethenamine
CID 163372519
2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
CID 44719349
formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol
CID 154917736
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546

Frequently Asked Questions

What is the IUPAC name of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine (CID 46985889) is N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine is Cc1ccccc1CN(CCN(C)C)Cc1ncc[nH]1.
What is the InChIKey of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is OLDCWTQYRLGWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-14-6-4-5-7-15(14)12-20(11-10-19(2)3)13-16-17-8-9-18-16/h4-9H,10-13H2,1-3H3,(H,17,18).
What are the key properties of N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 46985889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).