N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

C15H22N4 — CID 120913006

IUPACN'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCn1cncc1CN(CCN)CCc1ccccc1
InChIInChI=1S/C15H22N4/c1-18-13-17-11-15(18)12-19(10-8-16)9-7-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12,16H2,1H3
InChIKeyDIXDIBWOGWREEF-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.42
Rot. Bonds7

About N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120913006) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120913006
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCn1cncc1CN(CCN)CCc1ccccc1
InChIInChI=1S/C15H22N4/c1-18-13-17-11-15(18)12-19(10-8-16)9-7-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12,16H2,1H3
InChIKeyDIXDIBWOGWREEF-UHFFFAOYSA-N
XLogP1.42
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol
CID 135120617
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120913021
N'-[(1-methylbenzimidazol-5-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912918
N'-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912860
N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912684
N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912737
N-[(3-methylimidazol-4-yl)methyl]-2-phenylethanamine
CID 53397214
N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912549
N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912923
N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine
CID 107365079
N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912634
2-[carboxymethyl-[(3-methylimidazol-4-yl)methyl]amino]acetic acid
CID 66116320

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120913006) is N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is Cn1cncc1CN(CCN)CCc1ccccc1.
What is the InChIKey of N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is DIXDIBWOGWREEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18-13-17-11-15(18)12-19(10-8-16)9-7-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12,16H2,1H3.
What are the key properties of N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120913006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).