N-propylpropan-1-amine;tetrabutylazanium;hydroxide

C22H52N2O — CID 23129388

IUPACN-propylpropan-1-amine;tetrabutylazanium;hydroxide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCNCCC.[OH-]
InChIInChI=1S/C16H36N.C6H15N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-5-7-6-4-2;/h5-16H2,1-4H3;7H,3-6H2,1-2H3;1H2/q+1;;/p-1
InChIKeyIGVAMKDGQQGTJJ-UHFFFAOYSA-M
MW360.67 g/mol
LogP6.22
Rot. Bonds16

About N-propylpropan-1-amine;tetrabutylazanium;hydroxide

N-propylpropan-1-amine;tetrabutylazanium;hydroxide (PubChem CID 23129388) has the molecular formula C22H52N2O and a molecular weight of 360.67 g/mol. Its IUPAC name is N-propylpropan-1-amine;tetrabutylazanium;hydroxide.

Molecular Properties

Compound NameN-propylpropan-1-amine;tetrabutylazanium;hydroxide
PubChem CID23129388
Molecular FormulaC22H52N2O
Molecular Weight360.67 g/mol
Exact Mass360.41
IUPAC NameN-propylpropan-1-amine;tetrabutylazanium;hydroxide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCNCCC.[OH-]
InChIInChI=1S/C16H36N.C6H15N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-5-7-6-4-2;/h5-16H2,1-4H3;7H,3-6H2,1-2H3;1H2/q+1;;/p-1
InChIKeyIGVAMKDGQQGTJJ-UHFFFAOYSA-M
XLogP6.22
TPSA42.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-propylpropan-1-amine;tetrabutylazanium;hydroxide?
The IUPAC name of N-propylpropan-1-amine;tetrabutylazanium;hydroxide (CID 23129388) is N-propylpropan-1-amine;tetrabutylazanium;hydroxide.
What is the SMILES notation for N-propylpropan-1-amine;tetrabutylazanium;hydroxide?
The canonical SMILES for N-propylpropan-1-amine;tetrabutylazanium;hydroxide is CCCC[N+](CCCC)(CCCC)CCCC.CCCNCCC.[OH-].
What is the InChIKey of N-propylpropan-1-amine;tetrabutylazanium;hydroxide?
The InChIKey is IGVAMKDGQQGTJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.C6H15N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-5-7-6-4-2;/h5-16H2,1-4H3;7H,3-6H2,1-2H3;1H2/q+1;;/p-1.
What are the key properties of N-propylpropan-1-amine;tetrabutylazanium;hydroxide?
N-propylpropan-1-amine;tetrabutylazanium;hydroxide has a molecular weight of 360.67 g/mol, XLogP of 6.22, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylpropan-1-amine;tetrabutylazanium;hydroxide is sourced from PubChem (CID 23129388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).