2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine

C15H26N2 — CID 115222230

IUPAC2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
SMILESCNC(C)(C)CNCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H26N2/c1-11-7-12(2)14(13(3)8-11)9-17-10-15(4,5)16-6/h7-8,16-17H,9-10H2,1-6H3
InChIKeyQSARXSAYBKJELU-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.70
Rot. Bonds5

About 2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine

2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine (PubChem CID 115222230) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
PubChem CID115222230
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
SMILESCNC(C)(C)CNCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H26N2/c1-11-7-12(2)14(13(3)8-11)9-17-10-15(4,5)16-6/h7-8,16-17H,9-10H2,1-6H3
InChIKeyQSARXSAYBKJELU-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222255
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222275
1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65241400
1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222418
1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 96666593
2-[(2,4,6-trimethylphenyl)methylamino]ethanethiol
CID 115223927
2-N,2-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propane-1,2-diamine
CID 62846772
N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide
CID 47177896
1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847859
N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252814
2-[(2,4,6-trimethylphenyl)methylamino]acetic acid
CID 43135215
1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222199

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine (CID 115222230) is 2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine is CNC(C)(C)CNCc1c(C)cc(C)cc1C.
What is the InChIKey of 2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine?
The InChIKey is QSARXSAYBKJELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-7-12(2)14(13(3)8-11)9-17-10-15(4,5)16-6/h7-8,16-17H,9-10H2,1-6H3.
What are the key properties of 2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine?
2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 115222230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).