(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine

C10H12N2 — CID 67754598

IUPAC(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine
SMILESC=CCC1=C/C=C\C=C/N=C\1N
InChIInChI=1S/C10H12N2/c1-2-6-9-7-4-3-5-8-12-10(9)11/h2-5,7-8H,1,6H2,(H2,11,12)
InChIKeyJMMWDDLVGDBZKP-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.93
Rot. Bonds2

About (3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine

(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine (PubChem CID 67754598) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine
PubChem CID67754598
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine
SMILESC=CCC1=C/C=C\C=C/N=C\1N
InChIInChI=1S/C10H12N2/c1-2-6-9-7-4-3-5-8-12-10(9)11/h2-5,7-8H,1,6H2,(H2,11,12)
InChIKeyJMMWDDLVGDBZKP-UHFFFAOYSA-N
XLogP1.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.93
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 (3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine?
The IUPAC name of (3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine (CID 67754598) is (3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine.
What is the SMILES notation for (3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine?
The canonical SMILES for (3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine is C=CCC1=C/C=C\C=C/N=C\1N.
What is the InChIKey of (3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine?
The InChIKey is JMMWDDLVGDBZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-6-9-7-4-3-5-8-12-10(9)11/h2-5,7-8H,1,6H2,(H2,11,12).
What are the key properties of (3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine?
(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine has a molecular weight of 160.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine is sourced from PubChem (CID 67754598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).