6-hydroxyhexyl-dimethyl-prop-2-enoylazanium

C11H22NO2+ — CID 123271183

IUPAC6-hydroxyhexyl-dimethyl-prop-2-enoylazanium
SMILESC=CC(=O)[N+](C)(C)CCCCCCO
InChIInChI=1S/C11H22NO2/c1-4-11(14)12(2,3)9-7-5-6-8-10-13/h4,13H,1,5-10H2,2-3H3/q+1
InChIKeyVKRRNRBCVOEYHE-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.33
Rot. Bonds7

About 6-hydroxyhexyl-dimethyl-prop-2-enoylazanium

6-hydroxyhexyl-dimethyl-prop-2-enoylazanium (PubChem CID 123271183) has the molecular formula C11H22NO2+ and a molecular weight of 200.30 g/mol. Its IUPAC name is 6-hydroxyhexyl-dimethyl-prop-2-enoylazanium.

Molecular Properties

Compound Name6-hydroxyhexyl-dimethyl-prop-2-enoylazanium
PubChem CID123271183
Molecular FormulaC11H22NO2+
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name6-hydroxyhexyl-dimethyl-prop-2-enoylazanium
SMILESC=CC(=O)[N+](C)(C)CCCCCCO
InChIInChI=1S/C11H22NO2/c1-4-11(14)12(2,3)9-7-5-6-8-10-13/h4,13H,1,5-10H2,2-3H3/q+1
InChIKeyVKRRNRBCVOEYHE-UHFFFAOYSA-N
XLogP1.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

6-Maleimido-1-hexanol
CID 12193799
N-(6-hydroxyhexyl)prop-2-enamide
CID 14411137
N,N-bis(4-hydroxybutyl)prop-2-enamide
CID 20519151
N,N-bis(1-hydroxypropyl)prop-2-enamide
CID 22664999
N-cyclohexyl-N-(1-hydroxyethyl)prop-2-enamide
CID 23224348
N-(6-hydroxyhexyl)-N-methylprop-2-enamide
CID 54392964
N-hexyl-N-(2-hydroxyethyl)prop-2-enamide
CID 60948315
1-(9-Hydroxynonyl)pyrrole-2,5-dione
CID 68659959
1-(7-Hydroxyheptyl)pyrrole-2,5-dione
CID 68659971
1-(10-Hydroxy-decyl)-pyrrole-2,5-dione
CID 68660027
1-(8-Hydroxyoctyl)pyrrole-2,5-dione
CID 68660046
1-(1-Hydroxypentyl)pyrrole-2,5-dione
CID 68983760

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexyl-dimethyl-prop-2-enoylazanium?
The IUPAC name of 6-hydroxyhexyl-dimethyl-prop-2-enoylazanium (CID 123271183) is 6-hydroxyhexyl-dimethyl-prop-2-enoylazanium.
What is the SMILES notation for 6-hydroxyhexyl-dimethyl-prop-2-enoylazanium?
The canonical SMILES for 6-hydroxyhexyl-dimethyl-prop-2-enoylazanium is C=CC(=O)[N+](C)(C)CCCCCCO.
What is the InChIKey of 6-hydroxyhexyl-dimethyl-prop-2-enoylazanium?
The InChIKey is VKRRNRBCVOEYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO2/c1-4-11(14)12(2,3)9-7-5-6-8-10-13/h4,13H,1,5-10H2,2-3H3/q+1.
What are the key properties of 6-hydroxyhexyl-dimethyl-prop-2-enoylazanium?
6-hydroxyhexyl-dimethyl-prop-2-enoylazanium has a molecular weight of 200.30 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexyl-dimethyl-prop-2-enoylazanium is sourced from PubChem (CID 123271183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).