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

C14H29N3 — CID 154124858

IUPAC1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
SMILESCCCCCCCCNNC1=NCCCCC1
InChIInChI=1S/C14H29N3/c1-2-3-4-5-6-10-13-16-17-14-11-8-7-9-12-15-14/h16H,2-13H2,1H3,(H,15,17)
InChIKeyRVYMHGYILZXLPP-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.41
Rot. Bonds8

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

1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine (PubChem CID 154124858) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine.

Molecular Properties

Compound Name1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
PubChem CID154124858
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
SMILESCCCCCCCCNNC1=NCCCCC1
InChIInChI=1S/C14H29N3/c1-2-3-4-5-6-10-13-16-17-14-11-8-7-9-12-15-14/h16H,2-13H2,1H3,(H,15,17)
InChIKeyRVYMHGYILZXLPP-UHFFFAOYSA-N
XLogP3.41
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The IUPAC name of 1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine (CID 154124858) is 1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine.
What is the SMILES notation for 1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The canonical SMILES for 1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine is CCCCCCCCNNC1=NCCCCC1.
What is the InChIKey of 1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The InChIKey is RVYMHGYILZXLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-3-4-5-6-10-13-16-17-14-11-8-7-9-12-15-14/h16H,2-13H2,1H3,(H,15,17).
What are the key properties of 1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine has a molecular weight of 239.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine is sourced from PubChem (CID 154124858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).