N-(oxiran-2-ylmethyl)naphthalen-1-amine

C13H13NO — CID 54458676

IUPACN-(oxiran-2-ylmethyl)naphthalen-1-amine
SMILESc1ccc2c(NCC3CO3)cccc2c1
InChIInChI=1S/C13H13NO/c1-2-6-12-10(4-1)5-3-7-13(12)14-8-11-9-15-11/h1-7,11,14H,8-9H2
InChIKeyXAAQUYNDCDCWBJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.65
Rot. Bonds3

About N-(oxiran-2-ylmethyl)naphthalen-1-amine

N-(oxiran-2-ylmethyl)naphthalen-1-amine (PubChem CID 54458676) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)naphthalen-1-amine
PubChem CID54458676
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-(oxiran-2-ylmethyl)naphthalen-1-amine
SMILESc1ccc2c(NCC3CO3)cccc2c1
InChIInChI=1S/C13H13NO/c1-2-6-12-10(4-1)5-3-7-13(12)14-8-11-9-15-11/h1-7,11,14H,8-9H2
InChIKeyXAAQUYNDCDCWBJ-UHFFFAOYSA-N
XLogP2.65
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)naphthalen-1-amine?
The IUPAC name of N-(oxiran-2-ylmethyl)naphthalen-1-amine (CID 54458676) is N-(oxiran-2-ylmethyl)naphthalen-1-amine.
What is the SMILES notation for N-(oxiran-2-ylmethyl)naphthalen-1-amine?
The canonical SMILES for N-(oxiran-2-ylmethyl)naphthalen-1-amine is c1ccc2c(NCC3CO3)cccc2c1.
What is the InChIKey of N-(oxiran-2-ylmethyl)naphthalen-1-amine?
The InChIKey is XAAQUYNDCDCWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-6-12-10(4-1)5-3-7-13(12)14-8-11-9-15-11/h1-7,11,14H,8-9H2.
What are the key properties of N-(oxiran-2-ylmethyl)naphthalen-1-amine?
N-(oxiran-2-ylmethyl)naphthalen-1-amine has a molecular weight of 199.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)naphthalen-1-amine is sourced from PubChem (CID 54458676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).