1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine

C14H28N2 — CID 123204567

IUPAC1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine
SMILESCCC1C(C)=CC(C(C)NC)NCCC1C
InChIInChI=1S/C14H28N2/c1-6-13-10(2)7-8-16-14(9-11(13)3)12(4)15-5/h9-10,12-16H,6-8H2,1-5H3
InChIKeyDTICNOXBFSLBNS-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.56
Rot. Bonds3

About 1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine

1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine (PubChem CID 123204567) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine
PubChem CID123204567
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine
SMILESCCC1C(C)=CC(C(C)NC)NCCC1C
InChIInChI=1S/C14H28N2/c1-6-13-10(2)7-8-16-14(9-11(13)3)12(4)15-5/h9-10,12-16H,6-8H2,1-5H3
InChIKeyDTICNOXBFSLBNS-UHFFFAOYSA-N
XLogP2.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
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 1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine?
The IUPAC name of 1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine (CID 123204567) is 1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine is CCC1C(C)=CC(C(C)NC)NCCC1C.
What is the InChIKey of 1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine?
The InChIKey is DTICNOXBFSLBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-13-10(2)7-8-16-14(9-11(13)3)12(4)15-5/h9-10,12-16H,6-8H2,1-5H3.
What are the key properties of 1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine?
1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine has a molecular weight of 224.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4,6-dimethyl-1,2,3,4,5,8-hexahydroazocin-8-yl)-N-methylethanamine is sourced from PubChem (CID 123204567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).