N-ethyl-1-propylsulfanyloctan-2-amine

C13H29NS — CID 65128622

IUPACN-ethyl-1-propylsulfanyloctan-2-amine
SMILESCCCCCCC(CSCCC)NCC
InChIInChI=1S/C13H29NS/c1-4-7-8-9-10-13(14-6-3)12-15-11-5-2/h13-14H,4-12H2,1-3H3
InChIKeySQFIEFLLFXFKLV-UHFFFAOYSA-N
MW231.45 g/mol
LogP4.08
Rot. Bonds11

About N-ethyl-1-propylsulfanyloctan-2-amine

N-ethyl-1-propylsulfanyloctan-2-amine (PubChem CID 65128622) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is N-ethyl-1-propylsulfanyloctan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-propylsulfanyloctan-2-amine
PubChem CID65128622
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC NameN-ethyl-1-propylsulfanyloctan-2-amine
SMILESCCCCCCC(CSCCC)NCC
InChIInChI=1S/C13H29NS/c1-4-7-8-9-10-13(14-6-3)12-15-11-5-2/h13-14H,4-12H2,1-3H3
InChIKeySQFIEFLLFXFKLV-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 54.08
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-propyl-1-propylsulfanylheptan-2-amine
CID 65129217
N-ethyl-1-pentylsulfanylpentan-2-amine
CID 107763051
1-propylsulfanyldecan-2-ylhydrazine
CID 105225668
N-ethyltetradecan-7-amine
CID 87847195
N-ethylhexadecan-4-amine
CID 63413885
N-ethylnonan-3-amine
CID 60996683
N-ethyldecan-5-amine
CID 79405026
1-ethylsulfanyl-N-propylnonan-2-amine
CID 65128224
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128629
1-propylsulfanylundecan-2-amine
CID 65129364

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propylsulfanyloctan-2-amine?
The IUPAC name of N-ethyl-1-propylsulfanyloctan-2-amine (CID 65128622) is N-ethyl-1-propylsulfanyloctan-2-amine.
What is the SMILES notation for N-ethyl-1-propylsulfanyloctan-2-amine?
The canonical SMILES for N-ethyl-1-propylsulfanyloctan-2-amine is CCCCCCC(CSCCC)NCC.
What is the InChIKey of N-ethyl-1-propylsulfanyloctan-2-amine?
The InChIKey is SQFIEFLLFXFKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NS/c1-4-7-8-9-10-13(14-6-3)12-15-11-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of N-ethyl-1-propylsulfanyloctan-2-amine?
N-ethyl-1-propylsulfanyloctan-2-amine has a molecular weight of 231.45 g/mol, XLogP of 4.08, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propylsulfanyloctan-2-amine is sourced from PubChem (CID 65128622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).