carboxy-tri(propan-2-yl)azanium

C10H22NO2+ — CID 134471692

IUPACcarboxy-tri(propan-2-yl)azanium
SMILESCC(C)[N+](C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)11(8(3)4,9(5)6)10(12)13/h7-9H,1-6H3/p+1
InChIKeyQGRAUXARRXRGEO-UHFFFAOYSA-O
MW188.29 g/mol
LogP2.71
Rot. Bonds3

About carboxy-tri(propan-2-yl)azanium

carboxy-tri(propan-2-yl)azanium (PubChem CID 134471692) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is carboxy-tri(propan-2-yl)azanium.

Molecular Properties

Compound Namecarboxy-tri(propan-2-yl)azanium
PubChem CID134471692
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Namecarboxy-tri(propan-2-yl)azanium
SMILESCC(C)[N+](C(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)11(8(3)4,9(5)6)10(12)13/h7-9H,1-6H3/p+1
InChIKeyQGRAUXARRXRGEO-UHFFFAOYSA-O
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Calciumlactatepentahydrate
CID 87103201
azane;2-methylpropanoic acid;hydrate
CID 161320294
carbonic acid;2-methylpropane
CID 87262286
CID 123133976
CID 123133976
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
alumane;2-fluoropropanoic acid
CID 173229818
chromium;2-hydroxypropanoic acid;trihydrate
CID 173468651
carbonic acid;methane;2-methylpropane
CID 175033204
2-methylpropanoic acid
CID 173073412
calcium;hydride;2-hydroxypropanoic acid;tetrahydrate
CID 173372729
acetic acid;methanol;propan-2-ol;propan-2-one;hydrate
CID 174718429

Frequently Asked Questions

What is the IUPAC name of carboxy-tri(propan-2-yl)azanium?
The IUPAC name of carboxy-tri(propan-2-yl)azanium (CID 134471692) is carboxy-tri(propan-2-yl)azanium.
What is the SMILES notation for carboxy-tri(propan-2-yl)azanium?
The canonical SMILES for carboxy-tri(propan-2-yl)azanium is CC(C)[N+](C(=O)O)(C(C)C)C(C)C.
What is the InChIKey of carboxy-tri(propan-2-yl)azanium?
The InChIKey is QGRAUXARRXRGEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO2/c1-7(2)11(8(3)4,9(5)6)10(12)13/h7-9H,1-6H3/p+1.
What are the key properties of carboxy-tri(propan-2-yl)azanium?
carboxy-tri(propan-2-yl)azanium has a molecular weight of 188.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-tri(propan-2-yl)azanium is sourced from PubChem (CID 134471692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).