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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine
CID 61028513
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
3-[2-(cyclopentylmethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706862
[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium
CID 59502996
3-[3-(cyclohexylmethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675760
[2-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750
1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene
CID 80696092
[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium
CID 165036943
3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 81114610
N-[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63485658
2-[2-(cyclopentylmethoxy)phenyl]naphthalene
CID 91262762
2-[[2-(cyclohexylmethoxy)naphthalen-1-yl]methyl]-1-methylpiperidin-4-amine
CID 175568036

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).