2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

C24H34N2O — CID 25346

IUPAC2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESc1ccc2c(CC(CNCCN3CCCC3)CC3CCCO3)cccc2c1
InChIInChI=1S/C24H34N2O/c1-2-11-24-21(7-1)8-5-9-22(24)17-20(18-23-10-6-16-27-23)19-25-12-15-26-13-3-4-14-26/h1-2,5,7-9,11,20,23,25H,3-4,6,10,12-19H2
InChIKeySSHVUGZMKJPZKU-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.25
Rot. Bonds9

About 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (PubChem CID 25346) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
PubChem CID25346
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESc1ccc2c(CC(CNCCN3CCCC3)CC3CCCO3)cccc2c1
InChIInChI=1S/C24H34N2O/c1-2-11-24-21(7-1)8-5-9-22(24)17-20(18-23-10-6-16-27-23)19-25-12-15-26-13-3-4-14-26/h1-2,5,7-9,11,20,23,25H,3-4,6,10,12-19H2
InChIKeySSHVUGZMKJPZKU-UHFFFAOYSA-N
XLogP4.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-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

2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine
CID 20975902
2-naphthalen-1-yl-3-(oxolan-2-yl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 25166
2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550727
N,N-dimethyl-2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27141
ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 170452725
2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 62550386
1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium
CID 5113288
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]oxolane
CID 66049471
1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929660
4-(naphthalen-1-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide
CID 9097502
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550383

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (CID 25346) is 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is c1ccc2c(CC(CNCCN3CCCC3)CC3CCCO3)cccc2c1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The InChIKey is SSHVUGZMKJPZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-2-11-24-21(7-1)8-5-9-22(24)17-20(18-23-10-6-16-27-23)19-25-12-15-26-13-3-4-14-26/h1-2,5,7-9,11,20,23,25H,3-4,6,10,12-19H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine has a molecular weight of 366.55 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 25346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).