3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine

C18H19NO — CID 61028513

IUPAC3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine
SMILESNCC#Cc1c(OC2CCCC2)ccc2ccccc12
InChIInChI=1S/C18H19NO/c19-13-5-10-17-16-9-4-1-6-14(16)11-12-18(17)20-15-7-2-3-8-15/h1,4,6,9,11-12,15H,2-3,7-8,13,19H2
InChIKeyNGNHSMZMDOJWFO-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.47
Rot. Bonds2

About 3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine

3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine (PubChem CID 61028513) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine
PubChem CID61028513
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine
SMILESNCC#Cc1c(OC2CCCC2)ccc2ccccc12
InChIInChI=1S/C18H19NO/c19-13-5-10-17-16-9-4-1-6-14(16)11-12-18(17)20-15-7-2-3-8-15/h1,4,6,9,11-12,15H,2-3,7-8,13,19H2
InChIKeyNGNHSMZMDOJWFO-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine (CID 61028513) is 3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine is NCC#Cc1c(OC2CCCC2)ccc2ccccc12.
What is the InChIKey of 3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine?
The InChIKey is NGNHSMZMDOJWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c19-13-5-10-17-16-9-4-1-6-14(16)11-12-18(17)20-15-7-2-3-8-15/h1,4,6,9,11-12,15H,2-3,7-8,13,19H2.
What are the key properties of 3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine?
3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine is sourced from PubChem (CID 61028513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).