N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine

C15H25NS — CID 113373332

IUPACN-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine
SMILESCCSCCCNCC(C)(C)c1ccccc1
InChIInChI=1S/C15H25NS/c1-4-17-12-8-11-16-13-15(2,3)14-9-6-5-7-10-14/h5-7,9-10,16H,4,8,11-13H2,1-3H3
InChIKeyCTOGFEZLDGQNJT-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.70
Rot. Bonds8

About N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine

N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 113373332) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine
PubChem CID113373332
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine
SMILESCCSCCCNCC(C)(C)c1ccccc1
InChIInChI=1S/C15H25NS/c1-4-17-12-8-11-16-13-15(2,3)14-9-6-5-7-10-14/h5-7,9-10,16H,4,8,11-13H2,1-3H3
InChIKeyCTOGFEZLDGQNJT-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.70
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-(2-methyl-2-phenylpropyl)nonan-1-amine
CID 63491686
N-(2-methyl-2-phenylpropyl)hexan-1-amine
CID 63451792
3-[(2-methyl-2-phenylpropyl)amino]propane-1-thiol
CID 115225308
2-[(2-methyl-2-phenylpropyl)amino]ethanethiol
CID 115224453
N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine
CID 54886399
[2-methyl-7-(6-methyl-6-phenylheptyl)sulfanylheptan-2-yl]benzene
CID 143079939
N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide
CID 54886707
4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[(2-methyl-2-phenylpropyl)amino]propylsulfanyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
CID 69076736
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 65445010
N-(3,3,3-triphenylpropyl)hexan-1-amine
CID 69396005
N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529290
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine
CID 111948705

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine (CID 113373332) is N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine is CCSCCCNCC(C)(C)c1ccccc1.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is CTOGFEZLDGQNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-17-12-8-11-16-13-15(2,3)14-9-6-5-7-10-14/h5-7,9-10,16H,4,8,11-13H2,1-3H3.
What are the key properties of N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine?
N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 113373332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).