N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride

C12H20ClN3 — CID 71642062

IUPACN-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
SMILESCN(Cc1ccncc1)CC1CCCN1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-15(10-12-3-2-6-14-12)9-11-4-7-13-8-5-11;/h4-5,7-8,12,14H,2-3,6,9-10H2,1H3;1H
InChIKeyHZKWHPIVBIXDPW-UHFFFAOYSA-N
MW241.77 g/mol
LogP1.69
Rot. Bonds4

About N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride

N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride (PubChem CID 71642062) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
PubChem CID71642062
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
SMILESCN(Cc1ccncc1)CC1CCCN1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-15(10-12-3-2-6-14-12)9-11-4-7-13-8-5-11;/h4-5,7-8,12,14H,2-3,6,9-10H2,1H3;1H
InChIKeyHZKWHPIVBIXDPW-UHFFFAOYSA-N
XLogP1.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine
CID 82916479
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(2R)-piperidin-2-yl]methanamine
CID 97164232
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372383
N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 106622951
N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 102775633
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208337
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride (CID 71642062) is N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride is CN(Cc1ccncc1)CC1CCCN1.Cl.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride?
The InChIKey is HZKWHPIVBIXDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.ClH/c1-15(10-12-3-2-6-14-12)9-11-4-7-13-8-5-11;/h4-5,7-8,12,14H,2-3,6,9-10H2,1H3;1H.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride?
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride has a molecular weight of 241.77 g/mol, XLogP of 1.69, 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-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 71642062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).