3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine

C12H27NS — CID 143166114

IUPAC3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine
SMILESCCC(C)(CCNC)CCC(C)SC
InChIInChI=1S/C12H27NS/c1-6-12(3,9-10-13-4)8-7-11(2)14-5/h11,13H,6-10H2,1-5H3
InChIKeySLSOTFFTJFGJSZ-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.54
Rot. Bonds8

About 3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine

3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine (PubChem CID 143166114) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is 3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine
PubChem CID143166114
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC Name3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine
SMILESCCC(C)(CCNC)CCC(C)SC
InChIInChI=1S/C12H27NS/c1-6-12(3,9-10-13-4)8-7-11(2)14-5/h11,13H,6-10H2,1-5H3
InChIKeySLSOTFFTJFGJSZ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine?
The IUPAC name of 3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine (CID 143166114) is 3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine.
What is the SMILES notation for 3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine?
The canonical SMILES for 3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine is CCC(C)(CCNC)CCC(C)SC.
What is the InChIKey of 3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine?
The InChIKey is SLSOTFFTJFGJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-6-12(3,9-10-13-4)8-7-11(2)14-5/h11,13H,6-10H2,1-5H3.
What are the key properties of 3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine?
3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine has a molecular weight of 217.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,3-dimethyl-6-methylsulfanylheptan-1-amine is sourced from PubChem (CID 143166114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).