N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine

C22H31N5 — CID 135314363

IUPACN-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
SMILESCc1ccc(CN(C)CC2Cc3c(cccc3N3CCNCC3)CN2)nc1
InChIInChI=1S/C22H31N5/c1-17-6-7-19(24-13-17)15-26(2)16-20-12-21-18(14-25-20)4-3-5-22(21)27-10-8-23-9-11-27/h3-7,13,20,23,25H,8-12,14-16H2,1-2H3
InChIKeyRULCBINUQVNOQP-UHFFFAOYSA-N
MW365.53 g/mol
LogP1.95
Rot. Bonds5

About N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine

N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine (PubChem CID 135314363) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
PubChem CID135314363
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC NameN-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
SMILESCc1ccc(CN(C)CC2Cc3c(cccc3N3CCNCC3)CN2)nc1
InChIInChI=1S/C22H31N5/c1-17-6-7-19(24-13-17)15-26(2)16-20-12-21-18(14-25-20)4-3-5-22(21)27-10-8-23-9-11-27/h3-7,13,20,23,25H,8-12,14-16H2,1-2H3
InChIKeyRULCBINUQVNOQP-UHFFFAOYSA-N
XLogP1.95
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine
CID 158615476
N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 142416663
N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine
CID 135314188
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[[(3R)-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
CID 135314203
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine
CID 160991548
N,N-dimethyl-1-[5-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;5,6,7,8-tetrahydroquinoline
CID 142416797
N-methyl-N-[[(3R)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398708
N-methyl-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 58662142
(8S)-N-[[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398898
(8S)-N-[[(3S)-5-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 159315888
4-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]piperazine-1-carboxylic acid
CID 174980342
2-[(4-methylphenyl)methyl]-4-piperazin-1-yl-1,3-dihydroisoindole
CID 94778572

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine (CID 135314363) is N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine is Cc1ccc(CN(C)CC2Cc3c(cccc3N3CCNCC3)CN2)nc1.
What is the InChIKey of N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
The InChIKey is RULCBINUQVNOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-17-6-7-19(24-13-17)15-26(2)16-20-12-21-18(14-25-20)4-3-5-22(21)27-10-8-23-9-11-27/h3-7,13,20,23,25H,8-12,14-16H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine has a molecular weight of 365.53 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine is sourced from PubChem (CID 135314363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).