3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine

C19H21NO — CID 61343580

IUPAC3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine
SMILESNCC#Cc1c(OCC2CCCC2)ccc2ccccc12
InChIInChI=1S/C19H21NO/c20-13-5-10-18-17-9-4-3-8-16(17)11-12-19(18)21-14-15-6-1-2-7-15/h3-4,8-9,11-12,15H,1-2,6-7,13-14,20H2
InChIKeyOYDZWGHBDIXINK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.72
Rot. Bonds3

About 3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine

3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine (PubChem CID 61343580) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine
PubChem CID61343580
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine
SMILESNCC#Cc1c(OCC2CCCC2)ccc2ccccc12
InChIInChI=1S/C19H21NO/c20-13-5-10-18-17-9-4-3-8-16(17)11-12-19(18)21-14-15-6-1-2-7-15/h3-4,8-9,11-12,15H,1-2,6-7,13-14,20H2
InChIKeyOYDZWGHBDIXINK-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Naphthalen-1-yloxy)ethanamine
CID 14519851
(6-Ethoxy-2-naphthyl)-2-aminopropane
CID 44590294
(6-Propoxy-2-naphthyl)-2-aminopropane
CID 44590295
N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2199935
3-(Naphthalen-1-yloxy)propan-1-amine
CID 14566707
2-Aminoethyl-5-(4''-methoxy-1''-naphthethyl)tetrahydrofuran
CID 44590819
2-Aminoethyl-5-(2''-methoxy-1''-naphthethyl)tetrahydrofuran
CID 44590820
2-(2-Aminoethoxy)naphthalene
CID 2794245
(6-Butoxy-2-naphthyl)-2-aminopropane
CID 44590779
(6-Benzyloxy-2-naphthyl)-2-aminopropane
CID 44590780
2-(4-Phenoxynaphthalen-1-yl)-2-phenylethanamine;hydrochloride
CID 16735075
2-(4-Phenoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 16736132

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine (CID 61343580) is 3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine is NCC#Cc1c(OCC2CCCC2)ccc2ccccc12.
What is the InChIKey of 3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine?
The InChIKey is OYDZWGHBDIXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c20-13-5-10-18-17-9-4-3-8-16(17)11-12-19(18)21-14-15-6-1-2-7-15/h3-4,8-9,11-12,15H,1-2,6-7,13-14,20H2.
What are the key properties of 3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine?
3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine is sourced from PubChem (CID 61343580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).