6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine

C17H21N3 — CID 143653645

IUPAC6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESNc1cccc(CC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C17H21N3/c18-17-8-4-7-16(19-17)11-15-9-10-20(13-15)12-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,18,19)
InChIKeyYUKXXKIUFDMSNX-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.73
Rot. Bonds4

About 6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine

6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine (PubChem CID 143653645) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine
PubChem CID143653645
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESNc1cccc(CC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C17H21N3/c18-17-8-4-7-16(19-17)11-15-9-10-20(13-15)12-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,18,19)
InChIKeyYUKXXKIUFDMSNX-UHFFFAOYSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[4-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 25209849
6-[[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 25209851
6-[[(3S,4R)-4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 52946780
(3R)-1-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 131002661
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
CID 10614560
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine (CID 143653645) is 6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine is Nc1cccc(CC2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of 6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is YUKXXKIUFDMSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-17-8-4-7-16(19-17)11-15-9-10-20(13-15)12-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,18,19).
What are the key properties of 6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine?
6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 267.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 143653645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).