3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine

C11H20N4 — CID 86225752

IUPAC3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine
SMILESCN(C)CCCNc1cccc(N)c1N
InChIInChI=1S/C11H20N4/c1-15(2)8-4-7-14-10-6-3-5-9(12)11(10)13/h3,5-6,14H,4,7-8,12-13H2,1-2H3
InChIKeySFACZLIZOIIQSM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.21
Rot. Bonds5

About 3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine

3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine (PubChem CID 86225752) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine
PubChem CID86225752
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine
SMILESCN(C)CCCNc1cccc(N)c1N
InChIInChI=1S/C11H20N4/c1-15(2)8-4-7-14-10-6-3-5-9(12)11(10)13/h3,5-6,14H,4,7-8,12-13H2,1-2H3
InChIKeySFACZLIZOIIQSM-UHFFFAOYSA-N
XLogP1.21
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
CID 65343096
1,5-bis[3-(dimethylamino)propylamino]anthracene-9,10-dione;dihydrochloride
CID 131875153
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
N-[3-bromo-2-(methoxymethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525098
3-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80778166
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 91315804
1-N-[3-(dimethylamino)propyl]-4-methylbenzene-1,3-diamine
CID 62910379
5-(2-amino-3-propoxyanilino)pentan-1-ol
CID 107316474
methyl 4-amino-3-[3-(dimethylamino)propylamino]benzoate
CID 82785034

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine?
The IUPAC name of 3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine (CID 86225752) is 3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine.
What is the SMILES notation for 3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine?
The canonical SMILES for 3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine is CN(C)CCCNc1cccc(N)c1N.
What is the InChIKey of 3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine?
The InChIKey is SFACZLIZOIIQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-15(2)8-4-7-14-10-6-3-5-9(12)11(10)13/h3,5-6,14H,4,7-8,12-13H2,1-2H3.
What are the key properties of 3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine?
3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine has a molecular weight of 208.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine is sourced from PubChem (CID 86225752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).