N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine

C16H24N4 — CID 66134914

IUPACN-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H24N4/c1-5-20-11-18-10-16(20)15(9-17)19(4)14-7-12(2)6-13(3)8-14/h6-8,10-11,15H,5,9,17H2,1-4H3
InChIKeyCTRPNVWMKCLPKX-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.66
Rot. Bonds5

About N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine

N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine (PubChem CID 66134914) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
PubChem CID66134914
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H24N4/c1-5-20-11-18-10-16(20)15(9-17)19(4)14-7-12(2)6-13(3)8-14/h6-8,10-11,15H,5,9,17H2,1-4H3
InChIKeyCTRPNVWMKCLPKX-UHFFFAOYSA-N
XLogP2.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134488
1-(3-ethylimidazol-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 66133065
1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
CID 66133269
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 66133479
N-[(5-bromothiophen-3-yl)methyl]-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66135324
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 66135725
N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 66132849
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 66135325
N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131202
N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130799
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66134912

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine (CID 66134914) is N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine is CCn1cncc1C(CN)N(C)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine?
The InChIKey is CTRPNVWMKCLPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-20-11-18-10-16(20)15(9-17)19(4)14-7-12(2)6-13(3)8-14/h6-8,10-11,15H,5,9,17H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine?
N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 66134914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).