1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine

C14H21N3 — CID 154685325

IUPAC1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
SMILESCCc1ccc(NNC2=NCCCCC2)cc1
InChIInChI=1S/C14H21N3/c1-2-12-7-9-13(10-8-12)16-17-14-6-4-3-5-11-15-14/h7-10,16H,2-6,11H2,1H3,(H,15,17)
InChIKeyMNXMMOYLZUDVJT-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.14
Rot. Bonds3

About 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine

1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine (PubChem CID 154685325) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
PubChem CID154685325
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
SMILESCCc1ccc(NNC2=NCCCCC2)cc1
InChIInChI=1S/C14H21N3/c1-2-12-7-9-13(10-8-12)16-17-14-6-4-3-5-11-15-14/h7-10,16H,2-6,11H2,1H3,(H,15,17)
InChIKeyMNXMMOYLZUDVJT-UHFFFAOYSA-N
XLogP3.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The IUPAC name of 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine (CID 154685325) is 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine is CCc1ccc(NNC2=NCCCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The InChIKey is MNXMMOYLZUDVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-12-7-9-13(10-8-12)16-17-14-6-4-3-5-11-15-14/h7-10,16H,2-6,11H2,1H3,(H,15,17).
What are the key properties of 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine has a molecular weight of 231.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine is sourced from PubChem (CID 154685325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).