N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine

C15H26N2 — CID 115201423

IUPACN'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine
SMILESCc1cc(C)c(CCNCCCCN)cc1C
InChIInChI=1S/C15H26N2/c1-12-10-14(3)15(11-13(12)2)6-9-17-8-5-4-7-16/h10-11,17H,4-9,16H2,1-3H3
InChIKeyIMMFLQPQFJSESZ-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.48
Rot. Bonds7

About N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine

N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine (PubChem CID 115201423) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine
PubChem CID115201423
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine
SMILESCc1cc(C)c(CCNCCCCN)cc1C
InChIInChI=1S/C15H26N2/c1-12-10-14(3)15(11-13(12)2)6-9-17-8-5-4-7-16/h10-11,17H,4-9,16H2,1-3H3
InChIKeyIMMFLQPQFJSESZ-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.48
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-(2-methyl-5-propan-2-ylphenyl)ethyl]butane-1,4-diamine
CID 115201433
N-(bromomethyl)-2-(2,4,5-trimethylphenyl)ethanamine
CID 115262236
N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
CID 115201196
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364
N'-[2-(4-fluoro-3-methylphenyl)ethyl]butane-1,4-diamine
CID 115201373
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201222
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
N'-[(4-tert-butyl-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201234
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
2-amino-3-[2-(2,4,5-trimethylphenyl)ethylamino]propanoic acid
CID 115240850
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine?
The IUPAC name of N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine (CID 115201423) is N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine.
What is the SMILES notation for N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine?
The canonical SMILES for N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine is Cc1cc(C)c(CCNCCCCN)cc1C.
What is the InChIKey of N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine?
The InChIKey is IMMFLQPQFJSESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-10-14(3)15(11-13(12)2)6-9-17-8-5-4-7-16/h10-11,17H,4-9,16H2,1-3H3.
What are the key properties of N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine?
N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 115201423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).