(3-methylcyclobutyl)methylazanium

C6H14N+ — CID 163595204

IUPAC(3-methylcyclobutyl)methylazanium
SMILESCC1CC(C[NH3+])C1
InChIInChI=1S/C6H13N/c1-5-2-6(3-5)4-7/h5-6H,2-4,7H2,1H3/p+1
InChIKeyGSVPWASAUVYUBM-UHFFFAOYSA-O
MW100.19 g/mol
LogP0.27
Rot. Bonds1

About (3-methylcyclobutyl)methylazanium

(3-methylcyclobutyl)methylazanium (PubChem CID 163595204) has the molecular formula C6H14N+ and a molecular weight of 100.19 g/mol. Its IUPAC name is (3-methylcyclobutyl)methylazanium.

Molecular Properties

Compound Name(3-methylcyclobutyl)methylazanium
PubChem CID163595204
Molecular FormulaC6H14N+
Molecular Weight100.19 g/mol
Exact Mass100.11
IUPAC Name(3-methylcyclobutyl)methylazanium
SMILESCC1CC(C[NH3+])C1
InChIInChI=1S/C6H13N/c1-5-2-6(3-5)4-7/h5-6H,2-4,7H2,1H3/p+1
InChIKeyGSVPWASAUVYUBM-UHFFFAOYSA-O
XLogP0.27
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclobutyl)methylazanium?
The IUPAC name of (3-methylcyclobutyl)methylazanium (CID 163595204) is (3-methylcyclobutyl)methylazanium.
What is the SMILES notation for (3-methylcyclobutyl)methylazanium?
The canonical SMILES for (3-methylcyclobutyl)methylazanium is CC1CC(C[NH3+])C1.
What is the InChIKey of (3-methylcyclobutyl)methylazanium?
The InChIKey is GSVPWASAUVYUBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N/c1-5-2-6(3-5)4-7/h5-6H,2-4,7H2,1H3/p+1.
What are the key properties of (3-methylcyclobutyl)methylazanium?
(3-methylcyclobutyl)methylazanium has a molecular weight of 100.19 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclobutyl)methylazanium is sourced from PubChem (CID 163595204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).