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

C15H26N2 — CID 115195619

IUPACN'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
SMILESCc1cc(C)c(C(C)(C)CNCCN)cc1C
InChIInChI=1S/C15H26N2/c1-11-8-13(3)14(9-12(11)2)15(4,5)10-17-7-6-16/h8-9,17H,6-7,10,16H2,1-5H3
InChIKeyGLYMVKRGILPKKO-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.44
Rot. Bonds5

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

N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine (PubChem CID 115195619) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
PubChem CID115195619
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
SMILESCc1cc(C)c(C(C)(C)CNCCN)cc1C
InChIInChI=1S/C15H26N2/c1-11-8-13(3)14(9-12(11)2)15(4,5)10-17-7-6-16/h8-9,17H,6-7,10,16H2,1-5H3
InChIKeyGLYMVKRGILPKKO-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.44
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'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
CID 115226401
N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196189
N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115206175
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-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
CID 115262574
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201587
N'-[2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197585
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
3-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231327
N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227446

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine (CID 115195619) is N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine is Cc1cc(C)c(C(C)(C)CNCCN)cc1C.
What is the InChIKey of N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
The InChIKey is GLYMVKRGILPKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-8-13(3)14(9-12(11)2)15(4,5)10-17-7-6-16/h8-9,17H,6-7,10,16H2,1-5H3.
What are the key properties of N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine?
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 115195619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).