CID 53424698

C4H11N+ — CID 53424698

IUPAC—
SMILESCC[N+](C)C
InChIInChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3/q+1
InChIKeyDWCGZQZYIXGUAG-UHFFFAOYSA-N
MW73.14 g/mol
LogP0.41
Rot. Bonds1

About CID 53424698

CID 53424698 (PubChem CID 53424698) has the molecular formula C4H11N+ and a molecular weight of 73.14 g/mol.

Molecular Properties

Compound NameCID 53424698
PubChem CID53424698
Molecular FormulaC4H11N+
Molecular Weight73.14 g/mol
Exact Mass73.09
IUPAC Name—
SMILESCC[N+](C)C
InChIInChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3/q+1
InChIKeyDWCGZQZYIXGUAG-UHFFFAOYSA-N
XLogP0.41
TPSA5.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.14
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 53424698?
The IUPAC name of CID 53424698 (CID 53424698) is not available.
What is the SMILES notation for CID 53424698?
The canonical SMILES for CID 53424698 is CC[N+](C)C.
What is the InChIKey of CID 53424698?
The InChIKey is DWCGZQZYIXGUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3/q+1.
What are the key properties of CID 53424698?
CID 53424698 has a molecular weight of 73.14 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53424698 is sourced from PubChem (CID 53424698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).