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

C14H24N2 — CID 116938967

IUPAC2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine
SMILESCNC(C)(C)C(N)c1ccc(C)c(C)c1C
InChIInChI=1S/C14H24N2/c1-9-7-8-12(11(3)10(9)2)13(15)14(4,5)16-6/h7-8,13,16H,15H2,1-6H3
InChIKeyNKKXJZITCDDTJI-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.61
Rot. Bonds3

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

2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine (PubChem CID 116938967) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine
PubChem CID116938967
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine
SMILESCNC(C)(C)C(N)c1ccc(C)c(C)c1C
InChIInChI=1S/C14H24N2/c1-9-7-8-12(11(3)10(9)2)13(15)14(4,5)16-6/h7-8,13,16H,15H2,1-6H3
InChIKeyNKKXJZITCDDTJI-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-dimethyl-1-(2-methylphenyl)propane-1,2-diamine
CID 116938951
N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905769
N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116949089
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
1-hydrazinyl-N,N-dimethyl-1-(2,3,4-trimethylphenyl)methanamine
CID 116914969
2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile
CID 116955783
2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
CID 116957579
2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
CID 116830565
3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116937424
N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116914689
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
2-N,2-dimethyl-1-(6-methylnaphthalen-2-yl)propane-1,2-diamine
CID 116938972

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine (CID 116938967) is 2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine is CNC(C)(C)C(N)c1ccc(C)c(C)c1C.
What is the InChIKey of 2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine?
The InChIKey is NKKXJZITCDDTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-9-7-8-12(11(3)10(9)2)13(15)14(4,5)16-6/h7-8,13,16H,15H2,1-6H3.
What are the key properties of 2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine?
2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.61, 3 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-(2,3,4-trimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 116938967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).