7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine

C8H18N4 — CID 21203092

IUPAC7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine
SMILESCN(C)NNC1=NCCCCC1
InChIInChI=1S/C8H18N4/c1-12(2)11-10-8-6-4-3-5-7-9-8/h11H,3-7H2,1-2H3,(H,9,10)
InChIKeyLQQVVIRPJZNMRZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.53
Rot. Bonds2

About 7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine

7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine (PubChem CID 21203092) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine.

Molecular Properties

Compound Name7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine
PubChem CID21203092
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine
SMILESCN(C)NNC1=NCCCCC1
InChIInChI=1S/C8H18N4/c1-12(2)11-10-8-6-4-3-5-7-9-8/h11H,3-7H2,1-2H3,(H,9,10)
InChIKeyLQQVVIRPJZNMRZ-UHFFFAOYSA-N
XLogP0.53
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine?
The IUPAC name of 7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine (CID 21203092) is 7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine.
What is the SMILES notation for 7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine?
The canonical SMILES for 7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine is CN(C)NNC1=NCCCCC1.
What is the InChIKey of 7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine?
The InChIKey is LQQVVIRPJZNMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-12(2)11-10-8-6-4-3-5-7-9-8/h11H,3-7H2,1-2H3,(H,9,10).
What are the key properties of 7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine?
7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine has a molecular weight of 170.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)hydrazinyl]-3,4,5,6-tetrahydro-2H-azepine is sourced from PubChem (CID 21203092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).