2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine

C17H30N2 — CID 115136351

IUPAC2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
SMILESCc1cc(C)c(C(C)(C)CNCC(C)(C)N)c(C)c1
InChIInChI=1S/C17H30N2/c1-12-8-13(2)15(14(3)9-12)16(4,5)10-19-11-17(6,7)18/h8-9,19H,10-11,18H2,1-7H3
InChIKeyAMEPOQJAWNHQNW-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.22
Rot. Bonds5

About 2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine

2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine (PubChem CID 115136351) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
PubChem CID115136351
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
SMILESCc1cc(C)c(C(C)(C)CNCC(C)(C)N)c(C)c1
InChIInChI=1S/C17H30N2/c1-12-8-13(2)15(14(3)9-12)16(4,5)10-19-11-17(6,7)18/h8-9,19H,10-11,18H2,1-7H3
InChIKeyAMEPOQJAWNHQNW-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]methanediamine
CID 115226366
N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 115262537
1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
CID 115235277
N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196167
[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
CID 115171394
2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136129
N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamoyl bromide
CID 115194226
[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
CID 115229682
2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
CID 115136377
2-(methylamino)-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]acetamide
CID 115152174
3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
CID 115139516
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine (CID 115136351) is 2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine is Cc1cc(C)c(C(C)(C)CNCC(C)(C)N)c(C)c1.
What is the InChIKey of 2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine?
The InChIKey is AMEPOQJAWNHQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12-8-13(2)15(14(3)9-12)16(4,5)10-19-11-17(6,7)18/h8-9,19H,10-11,18H2,1-7H3.
What are the key properties of 2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine?
2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine is sourced from PubChem (CID 115136351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).