N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine

C12H19N3 — CID 94408610

IUPACN-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
SMILESCN(Cc1ccccn1)C[C@@H]1CCNC1
InChIInChI=1S/C12H19N3/c1-15(9-11-5-7-13-8-11)10-12-4-2-3-6-14-12/h2-4,6,11,13H,5,7-10H2,1H3/t11-/m1/s1
InChIKeyIJYXRPHIMACLAO-LLVKDONJSA-N
MW205.31 g/mol
LogP1.12
Rot. Bonds4

About N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine

N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine (PubChem CID 94408610) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
PubChem CID94408610
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
SMILESCN(Cc1ccccn1)C[C@@H]1CCNC1
InChIInChI=1S/C12H19N3/c1-15(9-11-5-7-13-8-11)10-12-4-2-3-6-14-12/h2-4,6,11,13H,5,7-10H2,1H3/t11-/m1/s1
InChIKeyIJYXRPHIMACLAO-LLVKDONJSA-N
XLogP1.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 97164667
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 115239884
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164670
N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 81043974
N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 79702191
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 43564926
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine (CID 94408610) is N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine is CN(Cc1ccccn1)C[C@@H]1CCNC1.
What is the InChIKey of N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine?
The InChIKey is IJYXRPHIMACLAO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3/c1-15(9-11-5-7-13-8-11)10-12-4-2-3-6-14-12/h2-4,6,11,13H,5,7-10H2,1H3/t11-/m1/s1.
What are the key properties of N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine?
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine has a molecular weight of 205.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 94408610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).