(4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide

C16H24N4O2 — CID 144925725

IUPAC(4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide
SMILESC=C/C=C(\C=C)CCCN.C=O.NNC(=O)c1ccncc1
InChIInChI=1S/C9H15N.C6H7N3O.CH2O/c1-3-6-9(4-2)7-5-8-10;7-9-6(10)5-1-3-8-4-2-5;1-2/h3-4,6H,1-2,5,7-8,10H2;1-4H,7H2,(H,9,10);1H2/b9-6+;;
InChIKeyFTSZCZMBNKRKDS-SWSRPJROSA-N
MW304.39 g/mol
LogP1.52
Rot. Bonds6

About (4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide

(4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide (PubChem CID 144925725) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide.

Molecular Properties

Compound Name(4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide
PubChem CID144925725
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide
SMILESC=C/C=C(\C=C)CCCN.C=O.NNC(=O)c1ccncc1
InChIInChI=1S/C9H15N.C6H7N3O.CH2O/c1-3-6-9(4-2)7-5-8-10;7-9-6(10)5-1-3-8-4-2-5;1-2/h3-4,6H,1-2,5,7-8,10H2;1-4H,7H2,(H,9,10);1H2/b9-6+;;
InChIKeyFTSZCZMBNKRKDS-SWSRPJROSA-N
XLogP1.52
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide?
The IUPAC name of (4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide (CID 144925725) is (4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide.
What is the SMILES notation for (4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide?
The canonical SMILES for (4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide is C=C/C=C(\C=C)CCCN.C=O.NNC(=O)c1ccncc1.
What is the InChIKey of (4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide?
The InChIKey is FTSZCZMBNKRKDS-SWSRPJROSA-N. The full InChI is InChI=1S/C9H15N.C6H7N3O.CH2O/c1-3-6-9(4-2)7-5-8-10;7-9-6(10)5-1-3-8-4-2-5;1-2/h3-4,6H,1-2,5,7-8,10H2;1-4H,7H2,(H,9,10);1H2/b9-6+;;.
What are the key properties of (4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide?
(4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide has a molecular weight of 304.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide is sourced from PubChem (CID 144925725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).