N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine

C10H23NS — CID 65129210

IUPACN-ethyl-3-methyl-1-propylsulfanylbutan-2-amine
SMILESCCCSCC(NCC)C(C)C
InChIInChI=1S/C10H23NS/c1-5-7-12-8-10(9(3)4)11-6-2/h9-11H,5-8H2,1-4H3
InChIKeyULFDFPCVJJYOPM-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.76
Rot. Bonds7

About N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine

N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine (PubChem CID 65129210) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-propylsulfanylbutan-2-amine
PubChem CID65129210
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-ethyl-3-methyl-1-propylsulfanylbutan-2-amine
SMILESCCCSCC(NCC)C(C)C
InChIInChI=1S/C10H23NS/c1-5-7-12-8-10(9(3)4)11-6-2/h9-11H,5-8H2,1-4H3
InChIKeyULFDFPCVJJYOPM-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.76
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

3-methyl-1-propylsulfanylbutan-2-amine
CID 65128665
N-ethyl-1-propylsulfanyloctan-2-amine
CID 65128622
(3R)-N-ethyl-2,5-dimethylhexan-3-amine
CID 59084835
N-ethyl-1-(oxan-4-yl)-2-propylsulfanylethanamine
CID 65129097
1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128629
2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
CID 89484583
N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632
N-ethyl-2,5,6,6-tetramethylheptan-3-amine
CID 114978235
3-methyl-4-propylsulfanylbut-1-ene
CID 90951175
1-(3,5-dimethylphenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128565
N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 107784089
N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine (CID 65129210) is N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine is CCCSCC(NCC)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine?
The InChIKey is ULFDFPCVJJYOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-5-7-12-8-10(9(3)4)11-6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine?
N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-propylsulfanylbutan-2-amine is sourced from PubChem (CID 65129210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).