2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine

C16H28N2 — CID 115138216

IUPAC2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine
SMILESCc1cc(C)c(CN(C)C(CN)C(C)C)cc1C
InChIInChI=1S/C16H28N2/c1-11(2)16(9-17)18(6)10-15-8-13(4)12(3)7-14(15)5/h7-8,11,16H,9-10,17H2,1-6H3
InChIKeyGSZPXQBWTROEST-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.03
Rot. Bonds5

About 2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine

2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine (PubChem CID 115138216) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine
PubChem CID115138216
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine
SMILESCc1cc(C)c(CN(C)C(CN)C(C)C)cc1C
InChIInChI=1S/C16H28N2/c1-11(2)16(9-17)18(6)10-15-8-13(4)12(3)7-14(15)5/h7-8,11,16H,9-10,17H2,1-6H3
InChIKeyGSZPXQBWTROEST-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(5-bromo-2-methylphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 115138236
3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040350
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115153746
3-N-methyl-3-N-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,3-diamine
CID 117040471
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 43563996
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
CID 115137620
N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
CID 62635925
2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138015
2-N-(2-methoxy-3,4,6-trimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138093
2-N-[(5-tert-butyl-2-methylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039981
2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138077

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine (CID 115138216) is 2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine is Cc1cc(C)c(CN(C)C(CN)C(C)C)cc1C.
What is the InChIKey of 2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine?
The InChIKey is GSZPXQBWTROEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11(2)16(9-17)18(6)10-15-8-13(4)12(3)7-14(15)5/h7-8,11,16H,9-10,17H2,1-6H3.
What are the key properties of 2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine?
2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 115138216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).