13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol

C18H38NO+ — CID 4318347

IUPAC13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol
SMILESC[N+]1(CCCCCCCCCCCCCO)CCCC1
InChIInChI=1S/C18H38NO/c1-19(16-12-13-17-19)15-11-9-7-5-3-2-4-6-8-10-14-18-20/h20H,2-18H2,1H3/q+1
InChIKeyZIMQSCPYBZPKEW-UHFFFAOYSA-N
MW284.51 g/mol
LogP4.51
Rot. Bonds13

About 13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol

13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol (PubChem CID 4318347) has the molecular formula C18H38NO+ and a molecular weight of 284.51 g/mol. Its IUPAC name is 13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol.

Molecular Properties

Compound Name13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol
PubChem CID4318347
Molecular FormulaC18H38NO+
Molecular Weight284.51 g/mol
Exact Mass284.29
IUPAC Name13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol
SMILESC[N+]1(CCCCCCCCCCCCCO)CCCC1
InChIInChI=1S/C18H38NO/c1-19(16-12-13-17-19)15-11-9-7-5-3-2-4-6-8-10-14-18-20/h20H,2-18H2,1H3/q+1
InChIKeyZIMQSCPYBZPKEW-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol?
The IUPAC name of 13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol (CID 4318347) is 13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol.
What is the SMILES notation for 13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol?
The canonical SMILES for 13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol is C[N+]1(CCCCCCCCCCCCCO)CCCC1.
What is the InChIKey of 13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol?
The InChIKey is ZIMQSCPYBZPKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38NO/c1-19(16-12-13-17-19)15-11-9-7-5-3-2-4-6-8-10-14-18-20/h20H,2-18H2,1H3/q+1.
What are the key properties of 13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol?
13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol has a molecular weight of 284.51 g/mol, XLogP of 4.51, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(1-methylpyrrolidin-1-ium-1-yl)tridecan-1-ol is sourced from PubChem (CID 4318347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).