azepane;1,2,3,4-tetrahydroisoquinoline

C15H24N2 — CID 67675496

IUPACazepane;1,2,3,4-tetrahydroisoquinoline
SMILESC1CCCNCC1.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.C6H13N/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-6-7-5-3-1/h1-4,10H,5-7H2;7H,1-6H2
InChIKeyNORYQINMUXOYHD-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.48
Rot. Bonds

About azepane;1,2,3,4-tetrahydroisoquinoline

azepane;1,2,3,4-tetrahydroisoquinoline (PubChem CID 67675496) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is azepane;1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Nameazepane;1,2,3,4-tetrahydroisoquinoline
PubChem CID67675496
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Nameazepane;1,2,3,4-tetrahydroisoquinoline
SMILESC1CCCNCC1.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.C6H13N/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-6-7-5-3-1/h1-4,10H,5-7H2;7H,1-6H2
InChIKeyNORYQINMUXOYHD-UHFFFAOYSA-N
XLogP2.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859
bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
CID 173168768
ethane;2,3,4,5-tetrahydro-1H-2-benzazepine
CID 145125160
1,2,3,4,5,6,7,8-octahydro-3,6-benzodiazecine
CID 156519075
azane;2,3,4,5-tetrahydro-1H-3-benzazepine
CID 135204749
sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)
CID 175785291
2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
CID 14892737
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
CID 159567822
acetamide;1,2,3,4-tetrahydroisoquinoline
CID 67612975
2,3-dihydro-1H-isoindole;3-methylpyrrolidine;bis(piperidine);pyrrolidine
CID 159960473
3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene
CID 15507128
1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoroacetic acid
CID 67161114

Frequently Asked Questions

What is the IUPAC name of azepane;1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of azepane;1,2,3,4-tetrahydroisoquinoline (CID 67675496) is azepane;1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for azepane;1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for azepane;1,2,3,4-tetrahydroisoquinoline is C1CCCNCC1.c1ccc2c(c1)CCNC2.
What is the InChIKey of azepane;1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NORYQINMUXOYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C6H13N/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-6-7-5-3-1/h1-4,10H,5-7H2;7H,1-6H2.
What are the key properties of azepane;1,2,3,4-tetrahydroisoquinoline?
azepane;1,2,3,4-tetrahydroisoquinoline has a molecular weight of 232.37 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepane;1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 67675496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).