1-tert-butylsulfanyl-N,4-diethylhexan-2-amine

C14H31NS — CID 82922711

IUPAC1-tert-butylsulfanyl-N,4-diethylhexan-2-amine
SMILESCCNC(CSC(C)(C)C)CC(CC)CC
InChIInChI=1S/C14H31NS/c1-7-12(8-2)10-13(15-9-3)11-16-14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyOSENXEITSDTXLT-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.32
Rot. Bonds8

About 1-tert-butylsulfanyl-N,4-diethylhexan-2-amine

1-tert-butylsulfanyl-N,4-diethylhexan-2-amine (PubChem CID 82922711) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N,4-diethylhexan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N,4-diethylhexan-2-amine
PubChem CID82922711
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name1-tert-butylsulfanyl-N,4-diethylhexan-2-amine
SMILESCCNC(CSC(C)(C)C)CC(CC)CC
InChIInChI=1S/C14H31NS/c1-7-12(8-2)10-13(15-9-3)11-16-14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyOSENXEITSDTXLT-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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 1-tert-butylsulfanyl-N,4-diethylhexan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N,4-diethylhexan-2-amine (CID 82922711) is 1-tert-butylsulfanyl-N,4-diethylhexan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N,4-diethylhexan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N,4-diethylhexan-2-amine is CCNC(CSC(C)(C)C)CC(CC)CC.
What is the InChIKey of 1-tert-butylsulfanyl-N,4-diethylhexan-2-amine?
The InChIKey is OSENXEITSDTXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-7-12(8-2)10-13(15-9-3)11-16-14(4,5)6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 1-tert-butylsulfanyl-N,4-diethylhexan-2-amine?
1-tert-butylsulfanyl-N,4-diethylhexan-2-amine has a molecular weight of 245.48 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N,4-diethylhexan-2-amine is sourced from PubChem (CID 82922711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).