2-carboxypropan-2-yl-dimethyl-pentylazanium

C11H24NO2+ — CID 18764880

IUPAC2-carboxypropan-2-yl-dimethyl-pentylazanium
SMILESCCCCC[N+](C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-6-7-8-9-12(4,5)11(2,3)10(13)14/h6-9H2,1-5H3/p+1
InChIKeyVDXJIYSJWAMKNK-UHFFFAOYSA-O
MW202.32 g/mol
LogP2.12
Rot. Bonds6

About 2-carboxypropan-2-yl-dimethyl-pentylazanium

2-carboxypropan-2-yl-dimethyl-pentylazanium (PubChem CID 18764880) has the molecular formula C11H24NO2+ and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-carboxypropan-2-yl-dimethyl-pentylazanium.

Molecular Properties

Compound Name2-carboxypropan-2-yl-dimethyl-pentylazanium
PubChem CID18764880
Molecular FormulaC11H24NO2+
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name2-carboxypropan-2-yl-dimethyl-pentylazanium
SMILESCCCCC[N+](C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-6-7-8-9-12(4,5)11(2,3)10(13)14/h6-9H2,1-5H3/p+1
InChIKeyVDXJIYSJWAMKNK-UHFFFAOYSA-O
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carboxypropan-2-yl-dimethyl-pentylazanium?
The IUPAC name of 2-carboxypropan-2-yl-dimethyl-pentylazanium (CID 18764880) is 2-carboxypropan-2-yl-dimethyl-pentylazanium.
What is the SMILES notation for 2-carboxypropan-2-yl-dimethyl-pentylazanium?
The canonical SMILES for 2-carboxypropan-2-yl-dimethyl-pentylazanium is CCCCC[N+](C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-carboxypropan-2-yl-dimethyl-pentylazanium?
The InChIKey is VDXJIYSJWAMKNK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23NO2/c1-6-7-8-9-12(4,5)11(2,3)10(13)14/h6-9H2,1-5H3/p+1.
What are the key properties of 2-carboxypropan-2-yl-dimethyl-pentylazanium?
2-carboxypropan-2-yl-dimethyl-pentylazanium has a molecular weight of 202.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxypropan-2-yl-dimethyl-pentylazanium is sourced from PubChem (CID 18764880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).