[(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine

C10H14N2 — CID 144614900

IUPAC[(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine
SMILESC/C=C1\C=C/C/N=C/C=C\1CN
InChIInChI=1S/C10H14N2/c1-2-9-4-3-6-12-7-5-10(9)8-11/h2-5,7H,6,8,11H2,1H3/b4-3-,9-2+,10-5-,12-7-
InChIKeyWILGDHZYSFEREM-LDPRAYFWSA-N
MW162.24 g/mol
LogP1.46
Rot. Bonds1

About [(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine

[(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine (PubChem CID 144614900) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is [(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine.

Molecular Properties

Compound Name[(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine
PubChem CID144614900
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name[(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine
SMILESC/C=C1\C=C/C/N=C/C=C\1CN
InChIInChI=1S/C10H14N2/c1-2-9-4-3-6-12-7-5-10(9)8-11/h2-5,7H,6,8,11H2,1H3/b4-3-,9-2+,10-5-,12-7-
InChIKeyWILGDHZYSFEREM-LDPRAYFWSA-N
XLogP1.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine?
The IUPAC name of [(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine (CID 144614900) is [(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine.
What is the SMILES notation for [(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine?
The canonical SMILES for [(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine is C/C=C1\C=C/C/N=C/C=C\1CN.
What is the InChIKey of [(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine?
The InChIKey is WILGDHZYSFEREM-LDPRAYFWSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-9-4-3-6-12-7-5-10(9)8-11/h2-5,7H,6,8,11H2,1H3/b4-3-,9-2+,10-5-,12-7-.
What are the key properties of [(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine?
[(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine has a molecular weight of 162.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5E,6E)-5-ethylidene-2H-azocin-6-yl]methanamine is sourced from PubChem (CID 144614900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).