(5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine

C13H25N — CID 154954008

IUPAC(5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine
SMILESCCC/C1=C/CCN(CCC)CCC1
InChIInChI=1S/C13H25N/c1-3-7-13-8-5-11-14(10-4-2)12-6-9-13/h8H,3-7,9-12H2,1-2H3/b13-8-
InChIKeyONUGUTSHETUZCC-JYRVWZFOSA-N
MW195.35 g/mol
LogP3.61
Rot. Bonds4

About (5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine

(5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine (PubChem CID 154954008) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine.

Molecular Properties

Compound Name(5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine
PubChem CID154954008
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine
SMILESCCC/C1=C/CCN(CCC)CCC1
InChIInChI=1S/C13H25N/c1-3-7-13-8-5-11-14(10-4-2)12-6-9-13/h8H,3-7,9-12H2,1-2H3/b13-8-
InChIKeyONUGUTSHETUZCC-JYRVWZFOSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine?
The IUPAC name of (5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine (CID 154954008) is (5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine.
What is the SMILES notation for (5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine?
The canonical SMILES for (5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine is CCC/C1=C/CCN(CCC)CCC1.
What is the InChIKey of (5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine?
The InChIKey is ONUGUTSHETUZCC-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H25N/c1-3-7-13-8-5-11-14(10-4-2)12-6-9-13/h8H,3-7,9-12H2,1-2H3/b13-8-.
What are the key properties of (5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine?
(5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine has a molecular weight of 195.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine is sourced from PubChem (CID 154954008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).