N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine

C15H25NS — CID 114333571

IUPACN-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine
SMILESCCSCC(C)NCCCCc1ccccc1
InChIInChI=1S/C15H25NS/c1-3-17-13-14(2)16-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3
InChIKeyHLEDXZRTDBYXFX-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.74
Rot. Bonds9

About N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine

N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine (PubChem CID 114333571) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine
PubChem CID114333571
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine
SMILESCCSCC(C)NCCCCc1ccccc1
InChIInChI=1S/C15H25NS/c1-3-17-13-14(2)16-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3
InChIKeyHLEDXZRTDBYXFX-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.74
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-(4-phenylbutyl)hexan-2-amine
CID 114333315
1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
CID 174848897
1-methylsulfanyl-N-(4-phenylbutyl)butan-2-amine
CID 114333568
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
6-phenyl-N-propylhexan-2-amine
CID 61485022
2-methyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333255
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
3-(3-phenylpropylamino)butanenitrile
CID 60905257

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine (CID 114333571) is N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine is CCSCC(C)NCCCCc1ccccc1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine?
The InChIKey is HLEDXZRTDBYXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-17-13-14(2)16-12-8-7-11-15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3.
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine?
N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 114333571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).