4-N-methyl-4-N-pentylbenzene-1,2,4-triamine

C12H21N3 — CID 106750383

IUPAC4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
SMILESCCCCCN(C)c1ccc(N)c(N)c1
InChIInChI=1S/C12H21N3/c1-3-4-5-8-15(2)10-6-7-11(13)12(14)9-10/h6-7,9H,3-5,8,13-14H2,1-2H3
InChIKeyOQYYRTVIZRFPAY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.48
Rot. Bonds5

About 4-N-methyl-4-N-pentylbenzene-1,2,4-triamine

4-N-methyl-4-N-pentylbenzene-1,2,4-triamine (PubChem CID 106750383) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-pentylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
PubChem CID106750383
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
SMILESCCCCCN(C)c1ccc(N)c(N)c1
InChIInChI=1S/C12H21N3/c1-3-4-5-8-15(2)10-6-7-11(13)12(14)9-10/h6-7,9H,3-5,8,13-14H2,1-2H3
InChIKeyOQYYRTVIZRFPAY-UHFFFAOYSA-N
XLogP2.48
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-4-N-methylbenzene-1,2,4-triamine
CID 106750191
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002018
4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
CID 106751027
4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine
CID 106750518
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine
CID 106750670
4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine
CID 106750685
1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 63694283
3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol
CID 22706869
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
N-heptyl-N-methylaniline
CID 54015540

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-pentylbenzene-1,2,4-triamine?
The IUPAC name of 4-N-methyl-4-N-pentylbenzene-1,2,4-triamine (CID 106750383) is 4-N-methyl-4-N-pentylbenzene-1,2,4-triamine.
What is the SMILES notation for 4-N-methyl-4-N-pentylbenzene-1,2,4-triamine?
The canonical SMILES for 4-N-methyl-4-N-pentylbenzene-1,2,4-triamine is CCCCCN(C)c1ccc(N)c(N)c1.
What is the InChIKey of 4-N-methyl-4-N-pentylbenzene-1,2,4-triamine?
The InChIKey is OQYYRTVIZRFPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-5-8-15(2)10-6-7-11(13)12(14)9-10/h6-7,9H,3-5,8,13-14H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-pentylbenzene-1,2,4-triamine?
4-N-methyl-4-N-pentylbenzene-1,2,4-triamine has a molecular weight of 207.32 g/mol, XLogP of 2.48, 5 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-pentylbenzene-1,2,4-triamine is sourced from PubChem (CID 106750383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).