2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine

C15H26N2 — CID 115132235

IUPAC2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCc1ccc(C)c(CCN(C)C(C)(C)CN)c1
InChIInChI=1S/C15H26N2/c1-12-6-7-13(2)14(10-12)8-9-17(5)15(3,4)11-16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyXLBWATPGBXUNHV-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.52
Rot. Bonds5

About 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine

2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132235) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115132235
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCc1ccc(C)c(CCN(C)C(C)(C)CN)c1
InChIInChI=1S/C15H26N2/c1-12-6-7-13(2)14(10-12)8-9-17(5)15(3,4)11-16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyXLBWATPGBXUNHV-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(2,5-dimethylphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132993
2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128131
2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132012
2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 82127686
N-(bromomethyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 115262334
[2-(2,5-dimethylphenyl)ethyl-methylamino]methanethiol
CID 115228360
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124611
2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258971
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,6-dimethylpyridine-2,5-diamine
CID 115147764
N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668044
N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine
CID 117040756
3-amino-4-[2-(2,5-dimethylphenyl)ethyl-methylamino]butanoic acid
CID 115241861

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine (CID 115132235) is 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine is Cc1ccc(C)c(CCN(C)C(C)(C)CN)c1.
What is the InChIKey of 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is XLBWATPGBXUNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-6-7-13(2)14(10-12)8-9-17(5)15(3,4)11-16/h6-7,10H,8-9,11,16H2,1-5H3.
What are the key properties of 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).