[2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride

C6H16Cl2N2 — CID 110187569

IUPAC[2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]CC1CCC1C[NH3+]
InChIInChI=1S/C6H14N2.2ClH/c7-3-5-1-2-6(5)4-8;;/h5-6H,1-4,7-8H2;2*1H
InChIKeyFCZGUISVPWFFBE-UHFFFAOYSA-N
MW187.11 g/mol
LogP-7.50
Rot. Bonds2

About [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride

[2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride (PubChem CID 110187569) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride.

Molecular Properties

Compound Name[2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride
PubChem CID110187569
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Name[2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]CC1CCC1C[NH3+]
InChIInChI=1S/C6H14N2.2ClH/c7-3-5-1-2-6(5)4-8;;/h5-6H,1-4,7-8H2;2*1H
InChIKeyFCZGUISVPWFFBE-UHFFFAOYSA-N
XLogP-7.50
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 5-7.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride 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 [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride?
The IUPAC name of [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride (CID 110187569) is [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride.
What is the SMILES notation for [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride?
The canonical SMILES for [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride is [Cl-].[Cl-].[NH3+]CC1CCC1C[NH3+].
What is the InChIKey of [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride?
The InChIKey is FCZGUISVPWFFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c7-3-5-1-2-6(5)4-8;;/h5-6H,1-4,7-8H2;2*1H.
What are the key properties of [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride?
[2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride has a molecular weight of 187.11 g/mol, XLogP of -7.50, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azaniumylmethyl)cyclobutyl]methylazanium dichloride is sourced from PubChem (CID 110187569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).