N,4-diethyl-1-ethylsulfanyloctan-2-amine

C14H31NS — CID 65128340

IUPACN,4-diethyl-1-ethylsulfanyloctan-2-amine
SMILESCCCCC(CC)CC(CSCC)NCC
InChIInChI=1S/C14H31NS/c1-5-9-10-13(6-2)11-14(15-7-3)12-16-8-4/h13-15H,5-12H2,1-4H3
InChIKeyLETABYAANYLSMG-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.32
Rot. Bonds11

About N,4-diethyl-1-ethylsulfanyloctan-2-amine

N,4-diethyl-1-ethylsulfanyloctan-2-amine (PubChem CID 65128340) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is N,4-diethyl-1-ethylsulfanyloctan-2-amine.

Molecular Properties

Compound NameN,4-diethyl-1-ethylsulfanyloctan-2-amine
PubChem CID65128340
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC NameN,4-diethyl-1-ethylsulfanyloctan-2-amine
SMILESCCCCC(CC)CC(CSCC)NCC
InChIInChI=1S/C14H31NS/c1-5-9-10-13(6-2)11-14(15-7-3)12-16-8-4/h13-15H,5-12H2,1-4H3
InChIKeyLETABYAANYLSMG-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-ethylsulfanyloctan-2-amine?
The IUPAC name of N,4-diethyl-1-ethylsulfanyloctan-2-amine (CID 65128340) is N,4-diethyl-1-ethylsulfanyloctan-2-amine.
What is the SMILES notation for N,4-diethyl-1-ethylsulfanyloctan-2-amine?
The canonical SMILES for N,4-diethyl-1-ethylsulfanyloctan-2-amine is CCCCC(CC)CC(CSCC)NCC.
What is the InChIKey of N,4-diethyl-1-ethylsulfanyloctan-2-amine?
The InChIKey is LETABYAANYLSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-5-9-10-13(6-2)11-14(15-7-3)12-16-8-4/h13-15H,5-12H2,1-4H3.
What are the key properties of N,4-diethyl-1-ethylsulfanyloctan-2-amine?
N,4-diethyl-1-ethylsulfanyloctan-2-amine has a molecular weight of 245.48 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-ethylsulfanyloctan-2-amine is sourced from PubChem (CID 65128340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).