N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine

C15H26N2 — CID 115227284

IUPACN'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-15(2,3)14-8-6-13(7-9-14)10-11-17(5)12-16-4/h6-9,16H,10-12H2,1-5H3
InChIKeyOBDYLCWAVKSGIF-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.64
Rot. Bonds5

About N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine

N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine (PubChem CID 115227284) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine
PubChem CID115227284
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-15(2,3)14-8-6-13(7-9-14)10-11-17(5)12-16-4/h6-9,16H,10-12H2,1-5H3
InChIKeyOBDYLCWAVKSGIF-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine
CID 115227379
3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol
CID 115217119
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
N-[2-(4-tert-butylphenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195005
N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine
CID 115202194
1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222505
3-(4-tert-butylphenyl)-N,N-dimethylpropanethioamide
CID 162716642
1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222522
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide
CID 94689627
tris[2-(4-tert-butylphenyl)ethyl]-sulfanylidene-λ5-phosphane
CID 122379311
2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
CID 84666441
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine?
The IUPAC name of N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine (CID 115227284) is N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine is CNCN(C)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine?
The InChIKey is OBDYLCWAVKSGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-15(2,3)14-8-6-13(7-9-14)10-11-17(5)12-16-4/h6-9,16H,10-12H2,1-5H3.
What are the key properties of N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine?
N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine has a molecular weight of 234.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115227284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).