4-[3-[methyl(3-methylbutyl)amino]propyl]aniline

C15H26N2 — CID 115341869

IUPAC4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
SMILESCC(C)CCN(C)CCCc1ccc(N)cc1
InChIInChI=1S/C15H26N2/c1-13(2)10-12-17(3)11-4-5-14-6-8-15(16)9-7-14/h6-9,13H,4-5,10-12,16H2,1-3H3
InChIKeyBPWVMBJYBMZKQV-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.18
Rot. Bonds7

About 4-[3-[methyl(3-methylbutyl)amino]propyl]aniline

4-[3-[methyl(3-methylbutyl)amino]propyl]aniline (PubChem CID 115341869) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-[3-[methyl(3-methylbutyl)amino]propyl]aniline.

Molecular Properties

Compound Name4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
PubChem CID115341869
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
SMILESCC(C)CCN(C)CCCc1ccc(N)cc1
InChIInChI=1S/C15H26N2/c1-13(2)10-12-17(3)11-4-5-14-6-8-15(16)9-7-14/h6-9,13H,4-5,10-12,16H2,1-3H3
InChIKeyBPWVMBJYBMZKQV-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
N'-[3-(4-aminophenyl)propyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115341967
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
CID 139610100
4-[2-[hexyl(methyl)amino]ethyl]aniline
CID 89126369
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218
4-[3-(diethylamino)propyl]aniline
CID 10608385
4-[3-(7-methyloctylamino)propyl]aniline
CID 107815674
2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
CID 61425855
4-[2-(5-methylhexylamino)ethyl]aniline
CID 115326174
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl(3-methylbutyl)amino]propyl]aniline?
The IUPAC name of 4-[3-[methyl(3-methylbutyl)amino]propyl]aniline (CID 115341869) is 4-[3-[methyl(3-methylbutyl)amino]propyl]aniline.
What is the SMILES notation for 4-[3-[methyl(3-methylbutyl)amino]propyl]aniline?
The canonical SMILES for 4-[3-[methyl(3-methylbutyl)amino]propyl]aniline is CC(C)CCN(C)CCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-[methyl(3-methylbutyl)amino]propyl]aniline?
The InChIKey is BPWVMBJYBMZKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)10-12-17(3)11-4-5-14-6-8-15(16)9-7-14/h6-9,13H,4-5,10-12,16H2,1-3H3.
What are the key properties of 4-[3-[methyl(3-methylbutyl)amino]propyl]aniline?
4-[3-[methyl(3-methylbutyl)amino]propyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl(3-methylbutyl)amino]propyl]aniline is sourced from PubChem (CID 115341869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).