4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine

C12H21N3 — CID 106750670

IUPAC4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine
SMILESCN(CC(C)(C)C)c1ccc(N)c(N)c1
InChIInChI=1S/C12H21N3/c1-12(2,3)8-15(4)9-5-6-10(13)11(14)7-9/h5-7H,8,13-14H2,1-4H3
InChIKeyNVHVVYUSWCFNKB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.33
Rot. Bonds2

About 4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine

4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine (PubChem CID 106750670) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine
PubChem CID106750670
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine
SMILESCN(CC(C)(C)C)c1ccc(N)c(N)c1
InChIInChI=1S/C12H21N3/c1-12(2,3)8-15(4)9-5-6-10(13)11(14)7-9/h5-7H,8,13-14H2,1-4H3
InChIKeyNVHVVYUSWCFNKB-UHFFFAOYSA-N
XLogP2.33
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[2,2-dimethylpropyl(methyl)amino]benzonitrile
CID 115499344
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
CID 113433012
4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine
CID 106751196
4-N-butyl-4-N-methylbenzene-1,2,4-triamine
CID 106750191
1-(3-amino-N,4-dimethylanilino)-2-methylpropan-2-ol
CID 79382345
4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
CID 106750383
4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine
CID 106750518
CID 123427442
CID 123427442
4-[2,2-dimethylpropyl(methyl)amino]-2-methylbenzoic acid
CID 55038670
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 102813812
4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
CID 106751027
2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 79466601

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine (CID 106750670) is 4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine is CN(CC(C)(C)C)c1ccc(N)c(N)c1.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine?
The InChIKey is NVHVVYUSWCFNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)8-15(4)9-5-6-10(13)11(14)7-9/h5-7H,8,13-14H2,1-4H3.
What are the key properties of 4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine?
4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine has a molecular weight of 207.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine is sourced from PubChem (CID 106750670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).