N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine

C16H28N2 — CID 116960302

IUPACN-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
SMILESCNC(c1ccc(C)c(C)c1C)C(CN)C(C)C
InChIInChI=1S/C16H28N2/c1-10(2)15(9-17)16(18-6)14-8-7-11(3)12(4)13(14)5/h7-8,10,15-16,18H,9,17H2,1-6H3
InChIKeyMYICXNGCGUBMLO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.10
Rot. Bonds5

About N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine

N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine (PubChem CID 116960302) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
PubChem CID116960302
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
SMILESCNC(c1ccc(C)c(C)c1C)C(CN)C(C)C
InChIInChI=1S/C16H28N2/c1-10(2)15(9-17)16(18-6)14-8-7-11(3)12(4)13(14)5/h7-8,10,15-16,18H,9,17H2,1-6H3
InChIKeyMYICXNGCGUBMLO-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960219
2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
CID 116957579
N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine
CID 116960307
N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960297
2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960845
2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile
CID 116960620
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116949089
2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid
CID 116961134
N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116960272
1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960290
2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol
CID 116960127

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
The IUPAC name of N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine (CID 116960302) is N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
The canonical SMILES for N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine is CNC(c1ccc(C)c(C)c1C)C(CN)C(C)C.
What is the InChIKey of N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
The InChIKey is MYICXNGCGUBMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-10(2)15(9-17)16(18-6)14-8-7-11(3)12(4)13(14)5/h7-8,10,15-16,18H,9,17H2,1-6H3.
What are the key properties of N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116960302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).