8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

C16H24N2 — CID 115104102

IUPAC8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(CN3CCCCCC3)c1)CNCC2
InChIInChI=1S/C16H24N2/c1-2-4-11-18(10-3-1)13-15-7-5-6-14-8-9-17-12-16(14)15/h5-7,17H,1-4,8-13H2
InChIKeyFDHHCIUAMLRZLU-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.71
Rot. Bonds2

About 8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115104102) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID115104102
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(CN3CCCCCC3)c1)CNCC2
InChIInChI=1S/C16H24N2/c1-2-4-11-18(10-3-1)13-15-7-5-6-14-8-9-17-12-16(14)15/h5-7,17H,1-4,8-13H2
InChIKeyFDHHCIUAMLRZLU-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
1-(azepan-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propan-1-one
CID 115104956
4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115103996
ethane;4-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 166485971
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557395
5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055322
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104557579
8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106777742
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643
8-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104136
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962

Frequently Asked Questions

What is the IUPAC name of 8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (CID 115104102) is 8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(CN3CCCCCC3)c1)CNCC2.
What is the InChIKey of 8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FDHHCIUAMLRZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-4-11-18(10-3-1)13-15-7-5-6-14-8-9-17-12-16(14)15/h5-7,17H,1-4,8-13H2.
What are the key properties of 8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 244.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115104102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).