(3-hydroxynaphthalen-2-yl)methyl-trimethylazanium

C14H18NO+ — CID 90780191

IUPAC(3-hydroxynaphthalen-2-yl)methyl-trimethylazanium
SMILESC[N+](C)(C)Cc1cc2ccccc2cc1O
InChIInChI=1S/C14H17NO/c1-15(2,3)10-13-8-11-6-4-5-7-12(11)9-14(13)16/h4-9H,10H2,1-3H3/p+1
InChIKeyRSUIATKTFQEXHC-UHFFFAOYSA-O
MW216.30 g/mol
LogP2.75
Rot. Bonds2

About (3-hydroxynaphthalen-2-yl)methyl-trimethylazanium

(3-hydroxynaphthalen-2-yl)methyl-trimethylazanium (PubChem CID 90780191) has the molecular formula C14H18NO+ and a molecular weight of 216.30 g/mol. Its IUPAC name is (3-hydroxynaphthalen-2-yl)methyl-trimethylazanium.

Molecular Properties

Compound Name(3-hydroxynaphthalen-2-yl)methyl-trimethylazanium
PubChem CID90780191
Molecular FormulaC14H18NO+
Molecular Weight216.30 g/mol
Exact Mass216.14
IUPAC Name(3-hydroxynaphthalen-2-yl)methyl-trimethylazanium
SMILESC[N+](C)(C)Cc1cc2ccccc2cc1O
InChIInChI=1S/C14H17NO/c1-15(2,3)10-13-8-11-6-4-5-7-12(11)9-14(13)16/h4-9H,10H2,1-3H3/p+1
InChIKeyRSUIATKTFQEXHC-UHFFFAOYSA-O
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxynaphthalen-2-yl)methyl-trimethylazanium?
The IUPAC name of (3-hydroxynaphthalen-2-yl)methyl-trimethylazanium (CID 90780191) is (3-hydroxynaphthalen-2-yl)methyl-trimethylazanium.
What is the SMILES notation for (3-hydroxynaphthalen-2-yl)methyl-trimethylazanium?
The canonical SMILES for (3-hydroxynaphthalen-2-yl)methyl-trimethylazanium is C[N+](C)(C)Cc1cc2ccccc2cc1O.
What is the InChIKey of (3-hydroxynaphthalen-2-yl)methyl-trimethylazanium?
The InChIKey is RSUIATKTFQEXHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17NO/c1-15(2,3)10-13-8-11-6-4-5-7-12(11)9-14(13)16/h4-9H,10H2,1-3H3/p+1.
What are the key properties of (3-hydroxynaphthalen-2-yl)methyl-trimethylazanium?
(3-hydroxynaphthalen-2-yl)methyl-trimethylazanium has a molecular weight of 216.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxynaphthalen-2-yl)methyl-trimethylazanium is sourced from PubChem (CID 90780191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).