2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine

C10H16N2 — CID 135244701

IUPAC2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine
SMILESCNCC/C1=N/C=CC/C=C\C1
InChIInChI=1S/C10H16N2/c1-11-9-7-10-6-4-2-3-5-8-12-10/h2,4-5,8,11H,3,6-7,9H2,1H3/b4-2-,8-5?,12-10+
InChIKeyKAMDCPFIOCOBGL-PFVRRCRASA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds3

About 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine

2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine (PubChem CID 135244701) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine
PubChem CID135244701
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine
SMILESCNCC/C1=N/C=CC/C=C\C1
InChIInChI=1S/C10H16N2/c1-11-9-7-10-6-4-2-3-5-8-12-10/h2,4-5,8,11H,3,6-7,9H2,1H3/b4-2-,8-5?,12-10+
InChIKeyKAMDCPFIOCOBGL-PFVRRCRASA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
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 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine (CID 135244701) is 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine is CNCC/C1=N/C=CC/C=C\C1.
What is the InChIKey of 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine?
The InChIKey is KAMDCPFIOCOBGL-PFVRRCRASA-N. The full InChI is InChI=1S/C10H16N2/c1-11-9-7-10-6-4-2-3-5-8-12-10/h2,4-5,8,11H,3,6-7,9H2,1H3/b4-2-,8-5?,12-10+.
What are the key properties of 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine?
2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine is sourced from PubChem (CID 135244701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).