3-[3-(2,2-dimethylbutylamino)propyl]aniline

C15H26N2 — CID 103462249

IUPAC3-[3-(2,2-dimethylbutylamino)propyl]aniline
SMILESCCC(C)(C)CNCCCc1cccc(N)c1
InChIInChI=1S/C15H26N2/c1-4-15(2,3)12-17-10-6-8-13-7-5-9-14(16)11-13/h5,7,9,11,17H,4,6,8,10,12,16H2,1-3H3
InChIKeyZCXIJNWTCFWWCO-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.23
Rot. Bonds7

About 3-[3-(2,2-dimethylbutylamino)propyl]aniline

3-[3-(2,2-dimethylbutylamino)propyl]aniline (PubChem CID 103462249) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylbutylamino)propyl]aniline.

Molecular Properties

Compound Name3-[3-(2,2-dimethylbutylamino)propyl]aniline
PubChem CID103462249
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-[3-(2,2-dimethylbutylamino)propyl]aniline
SMILESCCC(C)(C)CNCCCc1cccc(N)c1
InChIInChI=1S/C15H26N2/c1-4-15(2,3)12-17-10-6-8-13-7-5-9-14(16)11-13/h5,7,9,11,17H,4,6,8,10,12,16H2,1-3H3
InChIKeyZCXIJNWTCFWWCO-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052
3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline
CID 115342217
3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline
CID 106012145
3-pentylaniline
CID 19911390
3-docosylaniline
CID 139654071
3-[3-[(4,5-dimethylthiophen-2-yl)methylamino]propyl]aniline
CID 115342183
3-[2-(2-methylbutylamino)ethyl]aniline
CID 65347855
3-[3-(hexan-2-ylamino)propyl]aniline
CID 113290671
2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
CID 55107021
3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline
CID 113290648
tert-butyl N-[4-(3-aminophenyl)butyl]carbamate
CID 122523747
3-(3-aminophenyl)propan-1-ol
CID 10103334

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylbutylamino)propyl]aniline?
The IUPAC name of 3-[3-(2,2-dimethylbutylamino)propyl]aniline (CID 103462249) is 3-[3-(2,2-dimethylbutylamino)propyl]aniline.
What is the SMILES notation for 3-[3-(2,2-dimethylbutylamino)propyl]aniline?
The canonical SMILES for 3-[3-(2,2-dimethylbutylamino)propyl]aniline is CCC(C)(C)CNCCCc1cccc(N)c1.
What is the InChIKey of 3-[3-(2,2-dimethylbutylamino)propyl]aniline?
The InChIKey is ZCXIJNWTCFWWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-15(2,3)12-17-10-6-8-13-7-5-9-14(16)11-13/h5,7,9,11,17H,4,6,8,10,12,16H2,1-3H3.
What are the key properties of 3-[3-(2,2-dimethylbutylamino)propyl]aniline?
3-[3-(2,2-dimethylbutylamino)propyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylbutylamino)propyl]aniline is sourced from PubChem (CID 103462249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).