2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate

C19H41ClN2O6 — CID 87087554

IUPAC2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate
SMILESCCCCCCCCCCCC(=O)NC(C)(CCC)[N+](C)(C)O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C19H40N2O2.ClHO4/c1-6-8-9-10-11-12-13-14-15-16-18(22)20-19(3,17-7-2)21(4,5)23;2-1(3,4)5/h23H,6-17H2,1-5H3;(H,2,3,4,5)
InChIKeyFHTCLPOYIAVORX-UHFFFAOYSA-N
MW429.00 g/mol
LogP0.25
Rot. Bonds14

About 2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate

2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate (PubChem CID 87087554) has the molecular formula C19H41ClN2O6 and a molecular weight of 429.00 g/mol. Its IUPAC name is 2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate.

Molecular Properties

Compound Name2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate
PubChem CID87087554
Molecular FormulaC19H41ClN2O6
Molecular Weight429.00 g/mol
Exact Mass428.27
IUPAC Name2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate
SMILESCCCCCCCCCCCC(=O)NC(C)(CCC)[N+](C)(C)O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C19H40N2O2.ClHO4/c1-6-8-9-10-11-12-13-14-15-16-18(22)20-19(3,17-7-2)21(4,5)23;2-1(3,4)5/h23H,6-17H2,1-5H3;(H,2,3,4,5)
InChIKeyFHTCLPOYIAVORX-UHFFFAOYSA-N
XLogP0.25
TPSA141.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.00
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-(2-amino-3-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 18521143
N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
2-(hexanoylamino)-2-(trimethylazaniumyl)pentanoate
CID 87226269
N-(3-amino-3-ethyl-4-hydroxyheptan-4-yl)tetradecanamide
CID 88726820
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(3-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 18538189
N-(1-amino-3-hydroxyhexan-3-yl)dodecanamide
CID 87068240
N-(2-methylbut-3-yn-2-yl)dodecanamide
CID 65426604

Frequently Asked Questions

What is the IUPAC name of 2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate?
The IUPAC name of 2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate (CID 87087554) is 2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate.
What is the SMILES notation for 2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate?
The canonical SMILES for 2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate is CCCCCCCCCCCC(=O)NC(C)(CCC)[N+](C)(C)O.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate?
The InChIKey is FHTCLPOYIAVORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O2.ClHO4/c1-6-8-9-10-11-12-13-14-15-16-18(22)20-19(3,17-7-2)21(4,5)23;2-1(3,4)5/h23H,6-17H2,1-5H3;(H,2,3,4,5).
What are the key properties of 2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate?
2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate has a molecular weight of 429.00 g/mol, XLogP of 0.25, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecanoylamino)pentan-2-yl-hydroxy-dimethylazanium perchlorate is sourced from PubChem (CID 87087554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).