4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine

C12H21N3 — CID 106750518

IUPAC4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine
SMILESCC(C)CCN(C)c1ccc(N)c(N)c1
InChIInChI=1S/C12H21N3/c1-9(2)6-7-15(3)10-4-5-11(13)12(14)8-10/h4-5,8-9H,6-7,13-14H2,1-3H3
InChIKeyUOLHNEHXNZKUQM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.33
Rot. Bonds4

About 4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine

4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine (PubChem CID 106750518) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine
PubChem CID106750518
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine
SMILESCC(C)CCN(C)c1ccc(N)c(N)c1
InChIInChI=1S/C12H21N3/c1-9(2)6-7-15(3)10-4-5-11(13)12(14)8-10/h4-5,8-9H,6-7,13-14H2,1-3H3
InChIKeyUOLHNEHXNZKUQM-UHFFFAOYSA-N
XLogP2.33
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[methyl(3-methylbutyl)amino]benzonitrile
CID 115499206
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
4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
CID 106750383
3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
CID 60588106
4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
CID 106751027
4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine
CID 106750670
6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832
2-chloro-4-[methyl(3-methylbutyl)amino]benzenecarbothioamide
CID 62949131
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
4-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)aniline
CID 63817257
2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile
CID 115499082

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine (CID 106750518) is 4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine is CC(C)CCN(C)c1ccc(N)c(N)c1.
What is the InChIKey of 4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine?
The InChIKey is UOLHNEHXNZKUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)6-7-15(3)10-4-5-11(13)12(14)8-10/h4-5,8-9H,6-7,13-14H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine?
4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine has a molecular weight of 207.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106750518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).