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

C16H28N2 — CID 115227379

IUPACN'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)CCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C16H28N2/c1-13-11-15(16(2,3)4)8-7-14(13)9-10-18(6)12-17-5/h7-8,11,17H,9-10,12H2,1-6H3
InChIKeyKJUXUIBQDZCCBA-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.94
Rot. Bonds5

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

N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine (PubChem CID 115227379) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine
PubChem CID115227379
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)CCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C16H28N2/c1-13-11-15(16(2,3)4)8-7-14(13)9-10-18(6)12-17-5/h7-8,11,17H,9-10,12H2,1-6H3
InChIKeyKJUXUIBQDZCCBA-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.94
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

2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine
CID 115259627
N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine
CID 115227354
N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine
CID 115227284
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176703161
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205937
N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 120843617
2-[(4-tert-butyl-2-methylphenyl)methyl-methylamino]acetonitrile
CID 115131135
N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151986
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195966
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136058
4-(4-tert-butyl-2-methylphenyl)-N'-methylbutanehydrazide
CID 116846533

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine?
The IUPAC name of N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine (CID 115227379) is N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine is CNCN(C)CCc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine?
The InChIKey is KJUXUIBQDZCCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13-11-15(16(2,3)4)8-7-14(13)9-10-18(6)12-17-5/h7-8,11,17H,9-10,12H2,1-6H3.
What are the key properties of N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine?
N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine has a molecular weight of 248.41 g/mol, XLogP of 2.94, 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-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115227379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).