5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine

C17H23N3 — CID 115980597

IUPAC5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
SMILESCc1cc(N)cc(NCCCN(C)c2ccccc2)c1
InChIInChI=1S/C17H23N3/c1-14-11-15(18)13-16(12-14)19-9-6-10-20(2)17-7-4-3-5-8-17/h3-5,7-8,11-13,19H,6,9-10,18H2,1-2H3
InChIKeyGAXMPGPYNQVMMQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.52
Rot. Bonds6

About 5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine

5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine (PubChem CID 115980597) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
PubChem CID115980597
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
SMILESCc1cc(N)cc(NCCCN(C)c2ccccc2)c1
InChIInChI=1S/C17H23N3/c1-14-11-15(18)13-16(12-14)19-9-6-10-20(2)17-7-4-3-5-8-17/h3-5,7-8,11-13,19H,6,9-10,18H2,1-2H3
InChIKeyGAXMPGPYNQVMMQ-UHFFFAOYSA-N
XLogP3.52
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.52
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-methyl-1-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
CID 62910733
3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine
CID 112646930
2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine
CID 55012088
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
5-methyl-2-[3-(N-methylanilino)propylamino]benzonitrile
CID 107926867
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63501684
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441
3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276224
N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80932869
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 113430182

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine?
The IUPAC name of 5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine (CID 115980597) is 5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine.
What is the SMILES notation for 5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine?
The canonical SMILES for 5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine is Cc1cc(N)cc(NCCCN(C)c2ccccc2)c1.
What is the InChIKey of 5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine?
The InChIKey is GAXMPGPYNQVMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-11-15(18)13-16(12-14)19-9-6-10-20(2)17-7-4-3-5-8-17/h3-5,7-8,11-13,19H,6,9-10,18H2,1-2H3.
What are the key properties of 5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine?
5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine is sourced from PubChem (CID 115980597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).