5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine

C22H27NS2 — CID 14652312

IUPAC5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine
SMILESCN(CC#CCCC1SCCCS1)CCc1cccc2ccccc12
InChIInChI=1S/C22H27NS2/c1-23(15-6-2-3-13-22-24-17-8-18-25-22)16-14-20-11-7-10-19-9-4-5-12-21(19)20/h4-5,7,9-12,22H,3,8,13-18H2,1H3
InChIKeyOPHMIKASTMSIIV-UHFFFAOYSA-N
MW369.60 g/mol
LogP5.29
Rot. Bonds6

About 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine

5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine (PubChem CID 14652312) has the molecular formula C22H27NS2 and a molecular weight of 369.60 g/mol. Its IUPAC name is 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine.

Molecular Properties

Compound Name5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine
PubChem CID14652312
Molecular FormulaC22H27NS2
Molecular Weight369.60 g/mol
Exact Mass369.16
IUPAC Name5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine
SMILESCN(CC#CCCC1SCCCS1)CCc1cccc2ccccc12
InChIInChI=1S/C22H27NS2/c1-23(15-6-2-3-13-22-24-17-8-18-25-22)16-14-20-11-7-10-19-9-4-5-12-21(19)20/h4-5,7,9-12,22H,3,8,13-18H2,1H3
InChIKeyOPHMIKASTMSIIV-UHFFFAOYSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.60
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-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

4-(1-Naphthylmethyl)thiomorpholine
CID 791354
5-(2-benzhydryl-1,3-dithian-2-yl)-N,N-diethylpent-2-yn-1-amine
CID 14652265
1-(3-Naphthalen-1-ylprop-2-ynyl)-1-prop-2-enylpiperidin-1-ium
CID 3100970
5-(1,3-dithian-2-yl)-N-methyl-N-(2-phenylethyl)pent-2-yn-1-amine
CID 14652280
5-(1,3-dithian-2-yl)-N-methyl-N-(3-phenylpropyl)pent-2-yn-1-amine
CID 14652292
5-(1,3-dithian-2-yl)-N-methyl-N-(naphthalen-2-ylmethyl)pent-2-yn-1-amine
CID 14652310
5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine
CID 14652314
5-(1,3-dithian-2-yl)-N-methyl-N-(4-phenylbutyl)pent-2-yn-1-amine
CID 14652340
6-(1,3-dithian-2-yl)-N-methyl-N-(2-phenylethyl)hex-2-yn-1-amine
CID 14652349
N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine
CID 14913735
1-(3-Naphthalen-1-ylprop-2-ynyl)-1-prop-2-ynylpiperidin-1-ium
CID 3100968
N,5,5-trimethyl-N-(2-naphthalen-1-ylethyl)hex-3-yn-1-amine
CID 10063006

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine?
The IUPAC name of 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine (CID 14652312) is 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine.
What is the SMILES notation for 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine?
The canonical SMILES for 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine is CN(CC#CCCC1SCCCS1)CCc1cccc2ccccc12.
What is the InChIKey of 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine?
The InChIKey is OPHMIKASTMSIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NS2/c1-23(15-6-2-3-13-22-24-17-8-18-25-22)16-14-20-11-7-10-19-9-4-5-12-21(19)20/h4-5,7,9-12,22H,3,8,13-18H2,1H3.
What are the key properties of 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine?
5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine has a molecular weight of 369.60 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine is sourced from PubChem (CID 14652312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).