1-ethylsulfanyl-5,5-dimethylhexan-2-amine

C10H23NS — CID 65128014

IUPAC1-ethylsulfanyl-5,5-dimethylhexan-2-amine
SMILESCCSCC(N)CCC(C)(C)C
InChIInChI=1S/C10H23NS/c1-5-12-8-9(11)6-7-10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyLXKFDDCVQLQSHW-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.89
Rot. Bonds5

About 1-ethylsulfanyl-5,5-dimethylhexan-2-amine

1-ethylsulfanyl-5,5-dimethylhexan-2-amine (PubChem CID 65128014) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 1-ethylsulfanyl-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-5,5-dimethylhexan-2-amine
PubChem CID65128014
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name1-ethylsulfanyl-5,5-dimethylhexan-2-amine
SMILESCCSCC(N)CCC(C)(C)C
InChIInChI=1S/C10H23NS/c1-5-12-8-9(11)6-7-10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyLXKFDDCVQLQSHW-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-ethylsulfanyl-5,5-dimethylhexan-2-amine (CID 65128014) is 1-ethylsulfanyl-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-5,5-dimethylhexan-2-amine is CCSCC(N)CCC(C)(C)C.
What is the InChIKey of 1-ethylsulfanyl-5,5-dimethylhexan-2-amine?
The InChIKey is LXKFDDCVQLQSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-5-12-8-9(11)6-7-10(2,3)4/h9H,5-8,11H2,1-4H3.
What are the key properties of 1-ethylsulfanyl-5,5-dimethylhexan-2-amine?
1-ethylsulfanyl-5,5-dimethylhexan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 65128014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).