N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine

C15H26N2 — CID 115227143

IUPACN'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C15H26N2/c1-12-6-7-14(15(2,3)4)10-13(12)8-9-17-11-16-5/h6-7,10,16-17H,8-9,11H2,1-5H3
InChIKeyWIOCKJMQPKXSLN-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.60
Rot. Bonds5

About N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine

N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine (PubChem CID 115227143) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine
PubChem CID115227143
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine
SMILESCNCNCCc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C15H26N2/c1-12-6-7-14(15(2,3)4)10-13(12)8-9-17-11-16-5/h6-7,10,16-17H,8-9,11H2,1-5H3
InChIKeyWIOCKJMQPKXSLN-UHFFFAOYSA-N
XLogP2.60
TPSA24.06 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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195966
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol
CID 115229280
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]ethanethiol
CID 115224198
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]acetonitrile
CID 115131196
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
1-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]propane-1,2-diamine
CID 115196764
3-[2-(5-tert-butyl-2-methylphenyl)ethylamino]propanoic acid
CID 115005536
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide
CID 110787932
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide
CID 110787933
4-(5-tert-butyl-2-methylphenyl)butane-1-thiol
CID 94686954

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine?
The IUPAC name of N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine (CID 115227143) is N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine?
The canonical SMILES for N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine is CNCNCCc1cc(C(C)(C)C)ccc1C.
What is the InChIKey of N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine?
The InChIKey is WIOCKJMQPKXSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-6-7-14(15(2,3)4)10-13(12)8-9-17-11-16-5/h6-7,10,16-17H,8-9,11H2,1-5H3.
What are the key properties of N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine?
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine has a molecular weight of 234.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine is sourced from PubChem (CID 115227143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).