N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine

C20H27N3 — CID 51631520

IUPACN-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCCN1CCC[C@@H]1CN(Cc1ccccc1)Cc1ccncc1
InChIInChI=1S/C20H27N3/c1-2-23-14-6-9-20(23)17-22(15-18-7-4-3-5-8-18)16-19-10-12-21-13-11-19/h3-5,7-8,10-13,20H,2,6,9,14-17H2,1H3/t20-/m1/s1
InChIKeyKKELUAQJFRRDDP-HXUWFJFHSA-N
MW309.46 g/mol
LogP3.57
Rot. Bonds7

About N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine

N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 51631520) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
PubChem CID51631520
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC NameN-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCCN1CCC[C@@H]1CN(Cc1ccccc1)Cc1ccncc1
InChIInChI=1S/C20H27N3/c1-2-23-14-6-9-20(23)17-22(15-18-7-4-3-5-8-18)16-19-10-12-21-13-11-19/h3-5,7-8,10-13,20H,2,6,9,14-17H2,1H3/t20-/m1/s1
InChIKeyKKELUAQJFRRDDP-HXUWFJFHSA-N
XLogP3.57
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 46961800
N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51623399
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554333
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51631550
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
2-[[(1-ethylpyrrolidin-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 16676879
1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 43818095
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(6-methoxy-2H-chromen-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 51595316
1-(1-ethylpyrrolidin-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)methanamine
CID 46961939
N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51623338
1-benzyl-3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]thiourea
CID 17065707

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine (CID 51631520) is N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine is CCN1CCC[C@@H]1CN(Cc1ccccc1)Cc1ccncc1.
What is the InChIKey of N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is KKELUAQJFRRDDP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-23-14-6-9-20(23)17-22(15-18-7-4-3-5-8-18)16-19-10-12-21-13-11-19/h3-5,7-8,10-13,20H,2,6,9,14-17H2,1H3/t20-/m1/s1.
What are the key properties of N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 309.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 51631520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).