1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine

C15H26N2 — CID 115133027

IUPAC1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCc1ccccc1C
InChIInChI=1S/C15H26N2/c1-13-8-6-7-9-14(13)10-11-17(5)15(2,3)12-16-4/h6-9,16H,10-12H2,1-5H3
InChIKeySZPIZVCMPKXTBD-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.47
Rot. Bonds6

About 1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine

1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine (PubChem CID 115133027) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine
PubChem CID115133027
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCc1ccccc1C
InChIInChI=1S/C15H26N2/c1-13-8-6-7-9-14(13)10-11-17(5)15(2,3)12-16-4/h6-9,16H,10-12H2,1-5H3
InChIKeySZPIZVCMPKXTBD-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.47
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
1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115133017
N,N',2,2-tetramethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260003
1-N,2-N,2-trimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
CID 115132834
N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252939
3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115154766
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132235
N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropanamine
CID 67231400
N-methyl-2-(2-methylphenyl)ethanamine;toluene
CID 142152670
4-N,6-N-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 115265586
2-(2-methylphenyl)ethylazanium chloride
CID 21115517
ethane;2-(2-methylphenyl)ethanamine
CID 91237349

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine (CID 115133027) is 1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine is CNCC(C)(C)N(C)CCc1ccccc1C.
What is the InChIKey of 1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine?
The InChIKey is SZPIZVCMPKXTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13-8-6-7-9-14(13)10-11-17(5)15(2,3)12-16-4/h6-9,16H,10-12H2,1-5H3.
What are the key properties of 1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine?
1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 115133027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).