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

C8H18N3+ — CID 2323748

IUPAC1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine
SMILESCN(C)NC1=[NH+]CCCCC1
InChIInChI=1S/C8H17N3/c1-11(2)10-8-6-4-3-5-7-9-8/h3-7H2,1-2H3,(H,9,10)/p+1
InChIKeyAIWHDGLTKHAQON-UHFFFAOYSA-O
MW156.25 g/mol
LogP-0.89
Rot. Bonds1

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

1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine (PubChem CID 2323748) has the molecular formula C8H18N3+ and a molecular weight of 156.25 g/mol. Its IUPAC name is 1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine
PubChem CID2323748
Molecular FormulaC8H18N3+
Molecular Weight156.25 g/mol
Exact Mass156.15
IUPAC Name1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine
SMILESCN(C)NC1=[NH+]CCCCC1
InChIInChI=1S/C8H17N3/c1-11(2)10-8-6-4-3-5-7-9-8/h3-7H2,1-2H3,(H,9,10)/p+1
InChIKeyAIWHDGLTKHAQON-UHFFFAOYSA-O
XLogP-0.89
TPSA29.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine?
The IUPAC name of 1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine (CID 2323748) is 1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine?
The canonical SMILES for 1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine is CN(C)NC1=[NH+]CCCCC1.
What is the InChIKey of 1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine?
The InChIKey is AIWHDGLTKHAQON-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N3/c1-11(2)10-8-6-4-3-5-7-9-8/h3-7H2,1-2H3,(H,9,10)/p+1.
What are the key properties of 1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine?
1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine has a molecular weight of 156.25 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazine is sourced from PubChem (CID 2323748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).