(7Z)-1,2,3,4,5,6-hexahydroazocine

C7H13N — CID 22238101

IUPAC(7Z)-1,2,3,4,5,6-hexahydroazocine
SMILESC1=C\NCCCCC/1
InChIInChI=1S/C7H13N/c1-2-4-6-8-7-5-3-1/h4,6,8H,1-3,5,7H2/b6-4-
InChIKeyQCQYMMPEFGDXOM-XQRVVYSFSA-N
MW111.19 g/mol
LogP1.66
Rot. Bonds

About (7Z)-1,2,3,4,5,6-hexahydroazocine

(7Z)-1,2,3,4,5,6-hexahydroazocine (PubChem CID 22238101) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (7Z)-1,2,3,4,5,6-hexahydroazocine.

Molecular Properties

Compound Name(7Z)-1,2,3,4,5,6-hexahydroazocine
PubChem CID22238101
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(7Z)-1,2,3,4,5,6-hexahydroazocine
SMILESC1=C\NCCCCC/1
InChIInChI=1S/C7H13N/c1-2-4-6-8-7-5-3-1/h4,6,8H,1-3,5,7H2/b6-4-
InChIKeyQCQYMMPEFGDXOM-XQRVVYSFSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7Z)-1,2,3,4,5,6-hexahydroazocine?
The IUPAC name of (7Z)-1,2,3,4,5,6-hexahydroazocine (CID 22238101) is (7Z)-1,2,3,4,5,6-hexahydroazocine.
What is the SMILES notation for (7Z)-1,2,3,4,5,6-hexahydroazocine?
The canonical SMILES for (7Z)-1,2,3,4,5,6-hexahydroazocine is C1=C\NCCCCC/1.
What is the InChIKey of (7Z)-1,2,3,4,5,6-hexahydroazocine?
The InChIKey is QCQYMMPEFGDXOM-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H13N/c1-2-4-6-8-7-5-3-1/h4,6,8H,1-3,5,7H2/b6-4-.
What are the key properties of (7Z)-1,2,3,4,5,6-hexahydroazocine?
(7Z)-1,2,3,4,5,6-hexahydroazocine has a molecular weight of 111.19 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1,2,3,4,5,6-hexahydroazocine is sourced from PubChem (CID 22238101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).