hydroxymethyl(tripropyl)azanium

C10H24NO+ — CID 54406855

IUPAChydroxymethyl(tripropyl)azanium
SMILESCCC[N+](CO)(CCC)CCC
InChIInChI=1S/C10H24NO/c1-4-7-11(10-12,8-5-2)9-6-3/h12H,4-10H2,1-3H3/q+1
InChIKeyKTBFLEOMBJTCQA-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.98
Rot. Bonds7

About hydroxymethyl(tripropyl)azanium

hydroxymethyl(tripropyl)azanium (PubChem CID 54406855) has the molecular formula C10H24NO+ and a molecular weight of 174.31 g/mol. Its IUPAC name is hydroxymethyl(tripropyl)azanium.

Molecular Properties

Compound Namehydroxymethyl(tripropyl)azanium
PubChem CID54406855
Molecular FormulaC10H24NO+
Molecular Weight174.31 g/mol
Exact Mass174.19
IUPAC Namehydroxymethyl(tripropyl)azanium
SMILESCCC[N+](CO)(CCC)CCC
InChIInChI=1S/C10H24NO/c1-4-7-11(10-12,8-5-2)9-6-3/h12H,4-10H2,1-3H3/q+1
InChIKeyKTBFLEOMBJTCQA-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tributyl(hydroxymethyl)azanium
CID 59817115
butyl-(hydroxymethyl)-dipentylazanium bromide
CID 139955431
butyl-hexyl-(hydroxymethyl)-pentylazanium
CID 139955720
tetrapropylazanium;trihydroxy(oxido)silane
CID 173094822
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113
antimony(3+);tetrapropylazanium
CID 18954503
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538
manganese;oxygen(2-);tetrapropylazanium
CID 159090995
tetrakis(oxygen(2-));ruthenium(4+);tetrakis(tetrapropylazanium)
CID 173136039
tetrapropylazanium;bromide;hydrobromide
CID 87689277
boric acid;tetrapropylazanium;bromide
CID 175148155
tridodecyl(hydroxymethyl)azanium tetrafluoroborate
CID 141323038

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl(tripropyl)azanium?
The IUPAC name of hydroxymethyl(tripropyl)azanium (CID 54406855) is hydroxymethyl(tripropyl)azanium.
What is the SMILES notation for hydroxymethyl(tripropyl)azanium?
The canonical SMILES for hydroxymethyl(tripropyl)azanium is CCC[N+](CO)(CCC)CCC.
What is the InChIKey of hydroxymethyl(tripropyl)azanium?
The InChIKey is KTBFLEOMBJTCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO/c1-4-7-11(10-12,8-5-2)9-6-3/h12H,4-10H2,1-3H3/q+1.
What are the key properties of hydroxymethyl(tripropyl)azanium?
hydroxymethyl(tripropyl)azanium has a molecular weight of 174.31 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl(tripropyl)azanium is sourced from PubChem (CID 54406855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).