4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline

C15H24N2 — CID 115342109

IUPAC4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline
SMILESCC1(C)CCCN1CCCc1ccc(N)cc1
InChIInChI=1S/C15H24N2/c1-15(2)10-4-12-17(15)11-3-5-13-6-8-14(16)9-7-13/h6-9H,3-5,10-12,16H2,1-2H3
InChIKeyLCWCTWHBXDYCOX-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.08
Rot. Bonds4

About 4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline

4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline (PubChem CID 115342109) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline.

Molecular Properties

Compound Name4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline
PubChem CID115342109
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline
SMILESCC1(C)CCCN1CCCc1ccc(N)cc1
InChIInChI=1S/C15H24N2/c1-15(2)10-4-12-17(15)11-3-5-13-6-8-14(16)9-7-13/h6-9H,3-5,10-12,16H2,1-2H3
InChIKeyLCWCTWHBXDYCOX-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.08
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-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline
CID 63215847
1-(3-chloropropyl)-2,2-dimethylpyrrolidine
CID 23091634
4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
CID 115341786
4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline
CID 115341800
4-chloro-3-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline
CID 63215901
4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
CID 115342057
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
4-[4-(4-ethylpiperazin-1-yl)butyl]aniline
CID 94274343
5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254003
N-(2-amino-4-fluorophenyl)-4-(2,2-dimethylpyrrolidin-1-yl)butanamide
CID 63215697
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63219949
5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
CID 63217799

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline?
The IUPAC name of 4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline (CID 115342109) is 4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline.
What is the SMILES notation for 4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline?
The canonical SMILES for 4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline is CC1(C)CCCN1CCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline?
The InChIKey is LCWCTWHBXDYCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2)10-4-12-17(15)11-3-5-13-6-8-14(16)9-7-13/h6-9H,3-5,10-12,16H2,1-2H3.
What are the key properties of 4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline?
4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline is sourced from PubChem (CID 115342109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).