2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline

C15H24N2 — CID 62331138

IUPAC2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESCc1cccc(C)c1NCCCN1CCCC1
InChIInChI=1S/C15H24N2/c1-13-7-5-8-14(2)15(13)16-9-6-12-17-10-3-4-11-17/h5,7-8,16H,3-4,6,9-12H2,1-2H3
InChIKeyFBKCAWIJNDMXLX-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.20
Rot. Bonds5

About 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline

2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline (PubChem CID 62331138) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
PubChem CID62331138
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESCc1cccc(C)c1NCCCN1CCCC1
InChIInChI=1S/C15H24N2/c1-13-7-5-8-14(2)15(13)16-9-6-12-17-10-3-4-11-17/h5,7-8,16H,3-4,6,9-12H2,1-2H3
InChIKeyFBKCAWIJNDMXLX-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline
CID 54807240
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65498984
2-N-[2-(azepan-1-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 113333701
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
3-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107106445
3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875
2-[2-(azepan-1-yl)ethylamino]-3-methylbenzonitrile
CID 107111117
3-methyl-2-(2-pyrrolidin-1-ylethylamino)benzenecarbothioamide
CID 107108207
2-methyl-6-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 78918375
N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54941227
4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine
CID 71653557
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline?
The IUPAC name of 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline (CID 62331138) is 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline.
What is the SMILES notation for 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline?
The canonical SMILES for 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline is Cc1cccc(C)c1NCCCN1CCCC1.
What is the InChIKey of 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline?
The InChIKey is FBKCAWIJNDMXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-7-5-8-14(2)15(13)16-9-6-12-17-10-3-4-11-17/h5,7-8,16H,3-4,6,9-12H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline?
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 232.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 62331138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).