(7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine

C13H25N — CID 59559481

IUPAC(7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine
SMILESCC(C)C1C/C=C\N(C(C)C)CCC1
InChIInChI=1S/C13H25N/c1-11(2)13-7-5-9-14(12(3)4)10-6-8-13/h5,9,11-13H,6-8,10H2,1-4H3/b9-5-
InChIKeyMEQILSNHJFKSNS-UITAMQMPSA-N
MW195.35 g/mol
LogP3.67
Rot. Bonds2

About (7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine

(7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine (PubChem CID 59559481) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine.

Molecular Properties

Compound Name(7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine
PubChem CID59559481
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine
SMILESCC(C)C1C/C=C\N(C(C)C)CCC1
InChIInChI=1S/C13H25N/c1-11(2)13-7-5-9-14(12(3)4)10-6-8-13/h5,9,11-13H,6-8,10H2,1-4H3/b9-5-
InChIKeyMEQILSNHJFKSNS-UITAMQMPSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine?
The IUPAC name of (7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine (CID 59559481) is (7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine.
What is the SMILES notation for (7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine?
The canonical SMILES for (7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine is CC(C)C1C/C=C\N(C(C)C)CCC1.
What is the InChIKey of (7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine?
The InChIKey is MEQILSNHJFKSNS-UITAMQMPSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)13-7-5-9-14(12(3)4)10-6-8-13/h5,9,11-13H,6-8,10H2,1-4H3/b9-5-.
What are the key properties of (7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine?
(7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine has a molecular weight of 195.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine is sourced from PubChem (CID 59559481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).