N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine

C17H21NO2 — CID 83229536

IUPACN-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc2ccccc2c1CNOC1CCCC1
InChIInChI=1S/C17H21NO2/c1-19-17-11-10-13-6-2-5-9-15(13)16(17)12-18-20-14-7-3-4-8-14/h2,5-6,9-11,14,18H,3-4,7-8,12H2,1H3
InChIKeyGKUDHTDUVSMVNG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.81
Rot. Bonds5

About N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine

N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine (PubChem CID 83229536) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine
PubChem CID83229536
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc2ccccc2c1CNOC1CCCC1
InChIInChI=1S/C17H21NO2/c1-19-17-11-10-13-6-2-5-9-15(13)16(17)12-18-20-14-7-3-4-8-14/h2,5-6,9-11,14,18H,3-4,7-8,12H2,1H3
InChIKeyGKUDHTDUVSMVNG-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine (CID 83229536) is N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine is COc1ccc2ccccc2c1CNOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine?
The InChIKey is GKUDHTDUVSMVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-17-11-10-13-6-2-5-9-15(13)16(17)12-18-20-14-7-3-4-8-14/h2,5-6,9-11,14,18H,3-4,7-8,12H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine?
N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine is sourced from PubChem (CID 83229536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).