N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine

C16H27NS — CID 113474239

IUPACN-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
SMILESCSCCCC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NS/c1-16(2,3)17-13-15(11-8-12-18-4)14-9-6-5-7-10-14/h5-7,9-10,15,17H,8,11-13H2,1-4H3
InChIKeyOIQGBHZCISHMAI-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.30
Rot. Bonds7

About N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine

N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine (PubChem CID 113474239) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
PubChem CID113474239
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
SMILESCSCCCC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NS/c1-16(2,3)17-13-15(11-8-12-18-4)14-9-6-5-7-10-14/h5-7,9-10,15,17H,8,11-13H2,1-4H3
InChIKeyOIQGBHZCISHMAI-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230
N-tert-butyl-2-phenyloct-7-en-1-amine
CID 81024608
N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
CID 81023928
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
[2-(tert-butylamino)-1-phenylethyl] acetate
CID 174893597
N-tert-butyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-phenylbutan-1-amine
CID 81028003
N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83168684
2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine
CID 83168805
N-tert-butyl-2-(3-chlorophenyl)-6-methylheptan-1-amine
CID 83169178
N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 65431365
4-methylsulfanyl-N-(1-phenylethyl)butan-1-amine
CID 115668102

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine?
The IUPAC name of N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine (CID 113474239) is N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine?
The canonical SMILES for N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine is CSCCCC(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine?
The InChIKey is OIQGBHZCISHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-16(2,3)17-13-15(11-8-12-18-4)14-9-6-5-7-10-14/h5-7,9-10,15,17H,8,11-13H2,1-4H3.
What are the key properties of N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine?
N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine is sourced from PubChem (CID 113474239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).