4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline

C26H39N5 — CID 142417004

IUPAC4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline
SMILESCNCC1Cc2c(cccc2N2CCC(C)(N)CC2)CN1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C17H28N4.C9H11N/c1-17(18)6-8-21(9-7-17)16-5-3-4-13-11-20-14(12-19-2)10-15(13)16;1-2-6-9-8(4-1)5-3-7-10-9/h3-5,14,19-20H,6-12,18H2,1-2H3;3,5,7H,1-2,4,6H2
InChIKeyRUHWBAJGLLJSAY-UHFFFAOYSA-N
MW421.63 g/mol
LogP3.20
Rot. Bonds3

About 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline

4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline (PubChem CID 142417004) has the molecular formula C26H39N5 and a molecular weight of 421.63 g/mol. Its IUPAC name is 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline
PubChem CID142417004
Molecular FormulaC26H39N5
Molecular Weight421.63 g/mol
Exact Mass421.32
IUPAC Name4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline
SMILESCNCC1Cc2c(cccc2N2CCC(C)(N)CC2)CN1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C17H28N4.C9H11N/c1-17(18)6-8-21(9-7-17)16-5-3-4-13-11-20-14(12-19-2)10-15(13)16;1-2-6-9-8(4-1)5-3-7-10-9/h3-5,14,19-20H,6-12,18H2,1-2H3;3,5,7H,1-2,4,6H2
InChIKeyRUHWBAJGLLJSAY-UHFFFAOYSA-N
XLogP3.20
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.63
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

N,N-dimethyl-1-[5-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;5,6,7,8-tetrahydroquinoline
CID 142416797
O-ethyl 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperazine-1-carbothioate;N-methylethanamine;5,6,7,8-tetrahydroquinoline
CID 166488137
O-ethyl 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperazine-1-carbothioate;N-methylmethanamine;5,6,7,8-tetrahydroquinoline
CID 166488156
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-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-cyclopropyl-N'-[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-N'-ethylethane-1,2-diamine;5,6,7,8-tetrahydroquinoline
CID 142416963
(8S)-N-[[(3R)-5-(3,3-difluoro-4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[(3S)-5-(4-fluoro-4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[[(3R)-5-(4-fluoro-4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 162095981
(4aR,10bR)-1-[[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
CID 161424442
(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
(8S)-N-[[(3R)-5-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 146399110

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline (CID 142417004) is 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline is CNCC1Cc2c(cccc2N2CCC(C)(N)CC2)CN1.c1cnc2c(c1)CCCC2.
What is the InChIKey of 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline?
The InChIKey is RUHWBAJGLLJSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.C9H11N/c1-17(18)6-8-21(9-7-17)16-5-3-4-13-11-20-14(12-19-2)10-15(13)16;1-2-6-9-8(4-1)5-3-7-10-9/h3-5,14,19-20H,6-12,18H2,1-2H3;3,5,7H,1-2,4,6H2.
What are the key properties of 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline?
4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline has a molecular weight of 421.63 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(methylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]piperidin-4-amine;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 142417004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).