1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine

C16H28N2 — CID 55018279

IUPAC1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)N(C)C(c1ccccc1C)C(C)N
InChIInChI=1S/C16H28N2/c1-6-9-13(3)18(5)16(14(4)17)15-11-8-7-10-12(15)2/h7-8,10-11,13-14,16H,6,9,17H2,1-5H3
InChIKeyMAFMFOLJKQPCOA-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.50
Rot. Bonds6

About 1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine

1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine (PubChem CID 55018279) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
PubChem CID55018279
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)N(C)C(c1ccccc1C)C(C)N
InChIInChI=1S/C16H28N2/c1-6-9-13(3)18(5)16(14(4)17)15-11-8-7-10-12(15)2/h7-8,10-11,13-14,16H,6,9,17H2,1-5H3
InChIKeyMAFMFOLJKQPCOA-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018276
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 55015882
1-N-methyl-1-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)butane-1,2-diamine
CID 55018231
1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79385263
1-(2-bromophenyl)-1-N-butan-2-yl-1-N-methylpropane-1,2-diamine
CID 55022779
1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018331
1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112657415
3-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]propanenitrile
CID 55018083
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
CID 116905402
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine (CID 55018279) is 1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine is CCCC(C)N(C)C(c1ccccc1C)C(C)N.
What is the InChIKey of 1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine?
The InChIKey is MAFMFOLJKQPCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-9-13(3)18(5)16(14(4)17)15-11-8-7-10-12(15)2/h7-8,10-11,13-14,16H,6,9,17H2,1-5H3.
What are the key properties of 1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine?
1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55018279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).