(5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine

C10H19N — CID 59424109

IUPAC(5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine
SMILESCC(C)/C1=C/CCNCCC1
InChIInChI=1S/C10H19N/c1-9(2)10-5-3-7-11-8-4-6-10/h5,9,11H,3-4,6-8H2,1-2H3/b10-5+
InChIKeyHWTNZSIDJZOTGA-BJMVGYQFSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds1

About (5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine

(5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine (PubChem CID 59424109) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine.

Molecular Properties

Compound Name(5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine
PubChem CID59424109
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine
SMILESCC(C)/C1=C/CCNCCC1
InChIInChI=1S/C10H19N/c1-9(2)10-5-3-7-11-8-4-6-10/h5,9,11H,3-4,6-8H2,1-2H3/b10-5+
InChIKeyHWTNZSIDJZOTGA-BJMVGYQFSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine?
The IUPAC name of (5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine (CID 59424109) is (5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine.
What is the SMILES notation for (5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine?
The canonical SMILES for (5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine is CC(C)/C1=C/CCNCCC1.
What is the InChIKey of (5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine?
The InChIKey is HWTNZSIDJZOTGA-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)10-5-3-7-11-8-4-6-10/h5,9,11H,3-4,6-8H2,1-2H3/b10-5+.
What are the key properties of (5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine?
(5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-propan-2-yl-1,2,3,4,7,8-hexahydroazocine is sourced from PubChem (CID 59424109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).