N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine

C16H28N2 — CID 115196167

IUPACN-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
SMILESCNCCNCC(C)(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H28N2/c1-12-9-13(2)15(14(3)10-12)16(4,5)11-18-8-7-17-6/h9-10,17-18H,7-8,11H2,1-6H3
InChIKeyCZUKOHUNFMJURO-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.70
Rot. Bonds6

About N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine

N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine (PubChem CID 115196167) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
PubChem CID115196167
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
SMILESCNCCNCC(C)(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H28N2/c1-12-9-13(2)15(14(3)10-12)16(4,5)11-18-8-7-17-6/h9-10,17-18H,7-8,11H2,1-6H3
InChIKeyCZUKOHUNFMJURO-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-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 115262537
N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]methanediamine
CID 115226366
2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
CID 115136351
N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196189
1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
CID 115235277
N'-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196149
2-(methylamino)-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]acetamide
CID 115152174
[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
CID 115171394
[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
CID 115229682
N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195974
3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
CID 115139516
N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamoyl bromide
CID 115194226

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine (CID 115196167) is N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine is CNCCNCC(C)(C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine?
The InChIKey is CZUKOHUNFMJURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-9-13(2)15(14(3)10-12)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-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine?
N-methyl-N'-[2-methyl-2-(2,4,6-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-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 115196167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).