7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine

C10H18N2 — CID 18428445

IUPAC7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine
SMILESC=CCC1CCCCC/N=C\1N
InChIInChI=1S/C10H18N2/c1-2-6-9-7-4-3-5-8-12-10(9)11/h2,9H,1,3-8H2,(H2,11,12)
InChIKeyXXLBQRZSIIYIKB-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.11
Rot. Bonds2

About 7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine

7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine (PubChem CID 18428445) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine.

Molecular Properties

Compound Name7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine
PubChem CID18428445
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine
SMILESC=CCC1CCCCC/N=C\1N
InChIInChI=1S/C10H18N2/c1-2-6-9-7-4-3-5-8-12-10(9)11/h2,9H,1,3-8H2,(H2,11,12)
InChIKeyXXLBQRZSIIYIKB-UHFFFAOYSA-N
XLogP2.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine?
The IUPAC name of 7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine (CID 18428445) is 7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine.
What is the SMILES notation for 7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine?
The canonical SMILES for 7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine is C=CCC1CCCCC/N=C\1N.
What is the InChIKey of 7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine?
The InChIKey is XXLBQRZSIIYIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-6-9-7-4-3-5-8-12-10(9)11/h2,9H,1,3-8H2,(H2,11,12).
What are the key properties of 7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine?
7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine has a molecular weight of 166.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine is sourced from PubChem (CID 18428445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).