N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine

C16H28N2 — CID 115196189

IUPACN-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
SMILESCNCCNCC(C)(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H28N2/c1-12-9-14(3)15(10-13(12)2)16(4,5)11-18-8-7-17-6/h9-10,17-18H,7-8,11H2,1-6H3
InChIKeyYMVYXJJMSFJRHN-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.70
Rot. Bonds6

About N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine

N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine (PubChem CID 115196189) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
PubChem CID115196189
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
SMILESCNCCNCC(C)(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H28N2/c1-12-9-14(3)15(10-13(12)2)16(4,5)11-18-8-7-17-6/h9-10,17-18H,7-8,11H2,1-6H3
InChIKeyYMVYXJJMSFJRHN-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115206175
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115195619
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
CID 115226401
N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
CID 115262574
N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196167
N'-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196149
N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227446
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine
CID 115198160
N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197567
3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
CID 80502709
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine (CID 115196189) is N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine is CNCCNCC(C)(C)c1cc(C)c(C)cc1C.
What is the InChIKey of N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
The InChIKey is YMVYXJJMSFJRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-9-14(3)15(10-13(12)2)16(4,5)11-18-8-7-17-6/h9-10,17-18H,7-8,11H2,1-6H3.
What are the key properties of N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 115196189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).