N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine

C14H24N2 — CID 115227354

IUPACN,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine
SMILESCNCN(C)CCc1cc(C)c(C)cc1C
InChIInChI=1S/C14H24N2/c1-11-8-13(3)14(9-12(11)2)6-7-16(5)10-15-4/h8-9,15H,6-7,10H2,1-5H3
InChIKeyQWGAUVMROFAZEX-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.26
Rot. Bonds5

About N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine

N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine (PubChem CID 115227354) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine
PubChem CID115227354
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine
SMILESCNCN(C)CCc1cc(C)c(C)cc1C
InChIInChI=1S/C14H24N2/c1-11-8-13(3)14(9-12(11)2)6-7-16(5)10-15-4/h8-9,15H,6-7,10H2,1-5H3
InChIKeyQWGAUVMROFAZEX-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.26
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
[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methanethiol
CID 115228428
2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde
CID 115223399
2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile
CID 115131382
N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115261266
N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202182
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 115244399
3-amino-1-methyl-1-[2-(2,4,5-trimethylphenyl)ethyl]urea
CID 115193053
2-[[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methyl]butanenitrile
CID 115254132
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 115196106
4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol
CID 71290543
4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine
CID 117041329

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine?
The IUPAC name of N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine (CID 115227354) is N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine.
What is the SMILES notation for N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine?
The canonical SMILES for N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine is CNCN(C)CCc1cc(C)c(C)cc1C.
What is the InChIKey of N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine?
The InChIKey is QWGAUVMROFAZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-8-13(3)14(9-12(11)2)6-7-16(5)10-15-4/h8-9,15H,6-7,10H2,1-5H3.
What are the key properties of N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine?
N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine has a molecular weight of 220.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine is sourced from PubChem (CID 115227354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).