2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine

C14H24N2 — CID 115222066

IUPAC2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
SMILESCNC(C)(C)CNc1ccc(C)c(C)c1C
InChIInChI=1S/C14H24N2/c1-10-7-8-13(12(3)11(10)2)16-9-14(4,5)15-6/h7-8,15-16H,9H2,1-6H3
InChIKeyHELAXXFZXXHZER-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.02
Rot. Bonds4

About 2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine

2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine (PubChem CID 115222066) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
PubChem CID115222066
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
SMILESCNC(C)(C)CNc1ccc(C)c(C)c1C
InChIInChI=1S/C14H24N2/c1-10-7-8-13(12(3)11(10)2)16-9-14(4,5)15-6/h7-8,15-16H,9H2,1-6H3
InChIKeyHELAXXFZXXHZER-UHFFFAOYSA-N
XLogP3.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
CID 115226596
methyl 2,2-dimethyl-3-(2,3,4-trimethylanilino)propanoate
CID 115233608
N-(methoxymethyl)-2,3,4-trimethylaniline
CID 115258290
2-(2,3,4-trimethylanilino)acetaldehyde
CID 115222704
2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246081
1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115196344
1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222418
1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
CID 115121186
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243291
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222275
2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115222230
1-N,4-N-dibutyl-2,3-dimethylbenzene-1,4-diamine
CID 19915579

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine (CID 115222066) is 2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine is CNC(C)(C)CNc1ccc(C)c(C)c1C.
What is the InChIKey of 2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine?
The InChIKey is HELAXXFZXXHZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10-7-8-13(12(3)11(10)2)16-9-14(4,5)15-6/h7-8,15-16H,9H2,1-6H3.
What are the key properties of 2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine?
2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 115222066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).