3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine

C20H27N3 — CID 102540253

IUPAC3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine
SMILESCCCCNc1ncccc1C1CCCN1Cc1ccccc1
InChIInChI=1S/C20H27N3/c1-2-3-13-21-20-18(11-7-14-22-20)19-12-8-15-23(19)16-17-9-5-4-6-10-17/h4-7,9-11,14,19H,2-3,8,12-13,15-16H2,1H3,(H,21,22)
InChIKeyPGBTZSCIOQQIMK-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.63
Rot. Bonds7

About 3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine

3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine (PubChem CID 102540253) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine
PubChem CID102540253
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine
SMILESCCCCNc1ncccc1C1CCCN1Cc1ccccc1
InChIInChI=1S/C20H27N3/c1-2-3-13-21-20-18(11-7-14-22-20)19-12-8-15-23(19)16-17-9-5-4-6-10-17/h4-7,9-11,14,19H,2-3,8,12-13,15-16H2,1H3,(H,21,22)
InChIKeyPGBTZSCIOQQIMK-UHFFFAOYSA-N
XLogP4.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine
CID 102540271
2-[2-(butylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
CID 102540252
1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine
CID 102542292
3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine
CID 102540559
phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone
CID 102540070
3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine
CID 102542119
3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine
CID 102539762
3-(1-benzylpiperidin-2-yl)-2-tert-butylsulfanylpyridine
CID 102542247
3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541932
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92574832

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine?
The IUPAC name of 3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine (CID 102540253) is 3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine.
What is the SMILES notation for 3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine?
The canonical SMILES for 3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine is CCCCNc1ncccc1C1CCCN1Cc1ccccc1.
What is the InChIKey of 3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine?
The InChIKey is PGBTZSCIOQQIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-3-13-21-20-18(11-7-14-22-20)19-12-8-15-23(19)16-17-9-5-4-6-10-17/h4-7,9-11,14,19H,2-3,8,12-13,15-16H2,1H3,(H,21,22).
What are the key properties of 3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine?
3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine has a molecular weight of 309.46 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine is sourced from PubChem (CID 102540253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).