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

C22H27NS2 — CID 14652314

IUPAC5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine
SMILESCN(CC#CCCC1SCCCS1)CCc1ccc2ccccc2c1
InChIInChI=1S/C22H27NS2/c1-23(14-6-2-3-10-22-24-16-7-17-25-22)15-13-19-11-12-20-8-4-5-9-21(20)18-19/h4-5,8-9,11-12,18,22H,3,7,10,13-17H2,1H3
InChIKeyWFEKWBAVLZGWSD-UHFFFAOYSA-N
MW369.60 g/mol
LogP5.29
Rot. Bonds6

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

5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine (PubChem CID 14652314) 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-2-ylethyl)pent-2-yn-1-amine.

Molecular Properties

Compound Name5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine
PubChem CID14652314
Molecular FormulaC22H27NS2
Molecular Weight369.60 g/mol
Exact Mass369.16
IUPAC Name5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine
SMILESCN(CC#CCCC1SCCCS1)CCc1ccc2ccccc2c1
InChIInChI=1S/C22H27NS2/c1-23(14-6-2-3-10-22-24-16-7-17-25-22)15-13-19-11-12-20-8-4-5-9-21(20)18-19/h4-5,8-9,11-12,18,22H,3,7,10,13-17H2,1H3
InChIKeyWFEKWBAVLZGWSD-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-2-ylethyl)pent-2-yn-1-amine with MolForge

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Related Compounds

4-(1-Naphthylmethyl)thiomorpholine
CID 791354
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-(naphthalen-2-ylmethyl)pent-2-yn-1-amine
CID 14652310
5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-1-ylethyl)pent-2-yn-1-amine
CID 14652312
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
5-(1,3-dithian-2-yl)-N-methyl-N-(naphthalen-1-ylmethyl)pent-2-yn-1-amine
CID 14652308
4-Methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide
CID 155550753
4-Methyl-2-naphthalen-2-ylthiomorpholine
CID 155569399
naphthalen-2-ylmethyl N,N-diethylcarbamodithioate
CID 132014352
4-(2-Naphthylmethyl)thiomorpholine
CID 2177388
N-(anthracen-9-ylmethyl)-1-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-N-methylmethanamine
CID 102449739

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine?
The IUPAC name of 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine (CID 14652314) is 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine.
What is the SMILES notation for 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine?
The canonical SMILES for 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine is CN(CC#CCCC1SCCCS1)CCc1ccc2ccccc2c1.
What is the InChIKey of 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine?
The InChIKey is WFEKWBAVLZGWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NS2/c1-23(14-6-2-3-10-22-24-16-7-17-25-22)15-13-19-11-12-20-8-4-5-9-21(20)18-19/h4-5,8-9,11-12,18,22H,3,7,10,13-17H2,1H3.
What are the key properties of 5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-ylethyl)pent-2-yn-1-amine?
5-(1,3-dithian-2-yl)-N-methyl-N-(2-naphthalen-2-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-2-ylethyl)pent-2-yn-1-amine is sourced from PubChem (CID 14652314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).