5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

C19H28N2 — CID 104557329

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(CN3CCCC4CCCCC43)c1)CCNC2
InChIInChI=1S/C19H28N2/c1-2-9-19-15(5-1)8-4-12-21(19)14-17-7-3-6-16-13-20-11-10-18(16)17/h3,6-7,15,19-20H,1-2,4-5,8-14H2
InChIKeyKFFMRWIMMRKFLT-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.49
Rot. Bonds2

About 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 104557329) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID104557329
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(CN3CCCC4CCCCC43)c1)CCNC2
InChIInChI=1S/C19H28N2/c1-2-9-19-15(5-1)8-4-12-21(19)14-17-7-3-6-16-13-20-11-10-18(16)17/h3,6-7,15,19-20H,1-2,4-5,8-14H2
InChIKeyKFFMRWIMMRKFLT-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557490
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557395
5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557579
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)pyrrolidin-3-amine
CID 104557518
2-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]acetic acid
CID 102727074
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentanamine
CID 104557605
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-6-aminobenzoic acid
CID 104824402
N,2-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclohexan-1-amine
CID 104557435
N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104851
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (CID 104557329) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(CN3CCCC4CCCCC43)c1)CCNC2.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KFFMRWIMMRKFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-9-19-15(5-1)8-4-12-21(19)14-17-7-3-6-16-13-20-11-10-18(16)17/h3,6-7,15,19-20H,1-2,4-5,8-14H2.
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 284.45 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 104557329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).