N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine

C24H29NS2 — CID 14913735

IUPACN-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine
SMILESCN(CC#CCCC1(c2ccccc2)SCCCS1)CCc1ccccc1
InChIInChI=1S/C24H29NS2/c1-25(19-16-22-12-5-2-6-13-22)18-10-4-9-17-24(26-20-11-21-27-24)23-14-7-3-8-15-23/h2-3,5-8,12-15H,9,11,16-21H2,1H3
InChIKeyMGIPOGCRVBAAOF-UHFFFAOYSA-N
MW395.64 g/mol
LogP5.67
Rot. Bonds7

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

N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine (PubChem CID 14913735) has the molecular formula C24H29NS2 and a molecular weight of 395.64 g/mol. Its IUPAC name is N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine
PubChem CID14913735
Molecular FormulaC24H29NS2
Molecular Weight395.64 g/mol
Exact Mass395.17
IUPAC NameN-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine
SMILESCN(CC#CCCC1(c2ccccc2)SCCCS1)CCc1ccccc1
InChIInChI=1S/C24H29NS2/c1-25(19-16-22-12-5-2-6-13-22)18-10-4-9-17-24(26-20-11-21-27-24)23-14-7-3-8-15-23/h2-3,5-8,12-15H,9,11,16-21H2,1H3
InChIKeyMGIPOGCRVBAAOF-UHFFFAOYSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.64
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanamine, 2-[(diphenylmethyl)thio]-N,N-dimethyl-
CID 3028320
4-Benzyl-1-(2-phenylsulfanyl-ethyl)-piperidine
CID 12045832
5-(2-benzhydryl-1,3-dithian-2-yl)-N,N-diethylpent-2-yn-1-amine
CID 14652265
N,N-diethyl-5-(2-phenyl-1,3-dithian-2-yl)pent-2-yn-1-amine
CID 14652304
4-Benzyl-1-[(2,2-diphenyl-1,3-dithiolan-4-yl)methyl]piperidine
CID 127026895
5-(2-benzyl-1,3-dithian-2-yl)-N,N-diethylpent-2-yn-1-amine
CID 14652282
4-(2-phenyl-1,3-dithian-2-yl)-N,N-dipropylbut-2-yn-1-amine
CID 14652357
N,N-diethyl-4-(2-phenyl-1,3-dithian-2-yl)but-2-yn-1-amine
CID 14652358
Piperidine, 1-(2-((diphenylmethyl)thio)ethyl)-
CID 202023
4-Benzyl-1-(3-phenylsulfanyl-propyl)-piperidine
CID 12045491
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine?
The IUPAC name of N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine (CID 14913735) is N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine.
What is the SMILES notation for N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine?
The canonical SMILES for N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine is CN(CC#CCCC1(c2ccccc2)SCCCS1)CCc1ccccc1.
What is the InChIKey of N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine?
The InChIKey is MGIPOGCRVBAAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NS2/c1-25(19-16-22-12-5-2-6-13-22)18-10-4-9-17-24(26-20-11-21-27-24)23-14-7-3-8-15-23/h2-3,5-8,12-15H,9,11,16-21H2,1H3.
What are the key properties of N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine?
N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine has a molecular weight of 395.64 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-phenyl-1,3-dithian-2-yl)-N-(2-phenylethyl)pent-2-yn-1-amine is sourced from PubChem (CID 14913735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).