N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine

C13H23N3 — CID 23507168

IUPACN'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1ccc(N)cc1
InChIInChI=1S/C13H23N3/c1-15(2)9-4-10-16(3)11-12-5-7-13(14)8-6-12/h5-8H,4,9-11,14H2,1-3H3
InChIKeyULDAXJQZJVUOJL-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.65
Rot. Bonds6

About N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 23507168) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID23507168
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1ccc(N)cc1
InChIInChI=1S/C13H23N3/c1-15(2)9-4-10-16(3)11-12-5-7-13(14)8-6-12/h5-8H,4,9-11,14H2,1-3H3
InChIKeyULDAXJQZJVUOJL-UHFFFAOYSA-N
XLogP1.65
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
methyl 4-[(4-aminophenyl)methyl-methylamino]butanoate
CID 43458294
N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide
CID 63693206
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
N-[(4-aminophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 82672398
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507

Frequently Asked Questions

What is the IUPAC name of N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 23507168) is N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)Cc1ccc(N)cc1.
What is the InChIKey of N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is ULDAXJQZJVUOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-15(2)9-4-10-16(3)11-12-5-7-13(14)8-6-12/h5-8H,4,9-11,14H2,1-3H3.
What are the key properties of N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 23507168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).