2-[3-[methyl(pentan-2-yl)amino]propyl]aniline

C15H26N2 — CID 107274303

IUPAC2-[3-[methyl(pentan-2-yl)amino]propyl]aniline
SMILESCCCC(C)N(C)CCCc1ccccc1N
InChIInChI=1S/C15H26N2/c1-4-8-13(2)17(3)12-7-10-14-9-5-6-11-15(14)16/h5-6,9,11,13H,4,7-8,10,12,16H2,1-3H3
InChIKeyUJXBLHOIBRUISQ-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.32
Rot. Bonds7

About 2-[3-[methyl(pentan-2-yl)amino]propyl]aniline

2-[3-[methyl(pentan-2-yl)amino]propyl]aniline (PubChem CID 107274303) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-[3-[methyl(pentan-2-yl)amino]propyl]aniline.

Molecular Properties

Compound Name2-[3-[methyl(pentan-2-yl)amino]propyl]aniline
PubChem CID107274303
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-[3-[methyl(pentan-2-yl)amino]propyl]aniline
SMILESCCCC(C)N(C)CCCc1ccccc1N
InChIInChI=1S/C15H26N2/c1-4-8-13(2)17(3)12-7-10-14-9-5-6-11-15(14)16/h5-6,9,11,13H,4,7-8,10,12,16H2,1-3H3
InChIKeyUJXBLHOIBRUISQ-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[bis(3-methylbutyl)amino]propyl]aniline
CID 107870230
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
CID 107274465
2-tetradecylaniline
CID 22218918
2-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891825
2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline
CID 55079155
ethane;2-(3-methylbutyl)aniline
CID 143042088
2-(6,6-difluorohexyl)aniline
CID 70016284
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
2-[2-[bis(2-methylpropyl)amino]ethyl]aniline
CID 62495732
2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline
CID 107274552
2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline
CID 107274493

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(pentan-2-yl)amino]propyl]aniline?
The IUPAC name of 2-[3-[methyl(pentan-2-yl)amino]propyl]aniline (CID 107274303) is 2-[3-[methyl(pentan-2-yl)amino]propyl]aniline.
What is the SMILES notation for 2-[3-[methyl(pentan-2-yl)amino]propyl]aniline?
The canonical SMILES for 2-[3-[methyl(pentan-2-yl)amino]propyl]aniline is CCCC(C)N(C)CCCc1ccccc1N.
What is the InChIKey of 2-[3-[methyl(pentan-2-yl)amino]propyl]aniline?
The InChIKey is UJXBLHOIBRUISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-8-13(2)17(3)12-7-10-14-9-5-6-11-15(14)16/h5-6,9,11,13H,4,7-8,10,12,16H2,1-3H3.
What are the key properties of 2-[3-[methyl(pentan-2-yl)amino]propyl]aniline?
2-[3-[methyl(pentan-2-yl)amino]propyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(pentan-2-yl)amino]propyl]aniline is sourced from PubChem (CID 107274303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).