(3-methylcyclobutylidene)azanium

C5H10N+ — CID 163614310

IUPAC(3-methylcyclobutylidene)azanium
SMILESCC1CC(=[NH2+])C1
InChIInChI=1S/C5H9N/c1-4-2-5(6)3-4/h4,6H,2-3H2,1H3/p+1
InChIKeyHIQZVXJYYWMACL-UHFFFAOYSA-O
MW84.14 g/mol
LogP-0.38
Rot. Bonds

About (3-methylcyclobutylidene)azanium

(3-methylcyclobutylidene)azanium (PubChem CID 163614310) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is (3-methylcyclobutylidene)azanium.

Molecular Properties

Compound Name(3-methylcyclobutylidene)azanium
PubChem CID163614310
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Name(3-methylcyclobutylidene)azanium
SMILESCC1CC(=[NH2+])C1
InChIInChI=1S/C5H9N/c1-4-2-5(6)3-4/h4,6H,2-3H2,1H3/p+1
InChIKeyHIQZVXJYYWMACL-UHFFFAOYSA-O
XLogP-0.38
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclobutylidene)azanium?
The IUPAC name of (3-methylcyclobutylidene)azanium (CID 163614310) is (3-methylcyclobutylidene)azanium.
What is the SMILES notation for (3-methylcyclobutylidene)azanium?
The canonical SMILES for (3-methylcyclobutylidene)azanium is CC1CC(=[NH2+])C1.
What is the InChIKey of (3-methylcyclobutylidene)azanium?
The InChIKey is HIQZVXJYYWMACL-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9N/c1-4-2-5(6)3-4/h4,6H,2-3H2,1H3/p+1.
What are the key properties of (3-methylcyclobutylidene)azanium?
(3-methylcyclobutylidene)azanium has a molecular weight of 84.14 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclobutylidene)azanium is sourced from PubChem (CID 163614310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).