(3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine

C16H20N4 — CID 166932134

IUPAC(3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine
SMILESC/C=C\C=C/C1=C/C(NN)=C(/N)c2ccccc2NC1
InChIInChI=1S/C16H20N4/c1-2-3-4-7-12-10-15(20-18)16(17)13-8-5-6-9-14(13)19-11-12/h2-10,19-20H,11,17-18H2,1H3/b3-2-,7-4-,12-10-,16-15-
InChIKeyUNKXXXVQYWAZSZ-SNIMYREXSA-N
MW268.36 g/mol
LogP2.26
Rot. Bonds3

About (3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine

(3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine (PubChem CID 166932134) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine.

Molecular Properties

Compound Name(3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine
PubChem CID166932134
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name(3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine
SMILESC/C=C\C=C/C1=C/C(NN)=C(/N)c2ccccc2NC1
InChIInChI=1S/C16H20N4/c1-2-3-4-7-12-10-15(20-18)16(17)13-8-5-6-9-14(13)19-11-12/h2-10,19-20H,11,17-18H2,1H3/b3-2-,7-4-,12-10-,16-15-
InChIKeyUNKXXXVQYWAZSZ-SNIMYREXSA-N
XLogP2.26
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine?
The IUPAC name of (3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine (CID 166932134) is (3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine.
What is the SMILES notation for (3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine?
The canonical SMILES for (3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine is C/C=C\C=C/C1=C/C(NN)=C(/N)c2ccccc2NC1.
What is the InChIKey of (3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine?
The InChIKey is UNKXXXVQYWAZSZ-SNIMYREXSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-3-4-7-12-10-15(20-18)16(17)13-8-5-6-9-14(13)19-11-12/h2-10,19-20H,11,17-18H2,1H3/b3-2-,7-4-,12-10-,16-15-.
What are the key properties of (3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine?
(3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine has a molecular weight of 268.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-hydrazinyl-3-[(1Z,3Z)-penta-1,3-dienyl]-1,2-dihydro-1-benzazocin-6-amine is sourced from PubChem (CID 166932134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).