2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine

C17H37NS — CID 91504870

IUPAC2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine
SMILESCCCCC(SC)C(C)C(C(C)CN)C(C)C(C)C
InChIInChI=1S/C17H37NS/c1-8-9-10-16(19-7)15(6)17(13(4)11-18)14(5)12(2)3/h12-17H,8-11,18H2,1-7H3
InChIKeyZIQUTEWIKUIZGQ-UHFFFAOYSA-N
MW287.56 g/mol
LogP5.05
Rot. Bonds10

About 2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine

2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine (PubChem CID 91504870) has the molecular formula C17H37NS and a molecular weight of 287.56 g/mol. Its IUPAC name is 2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine
PubChem CID91504870
Molecular FormulaC17H37NS
Molecular Weight287.56 g/mol
Exact Mass287.26
IUPAC Name2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine
SMILESCCCCC(SC)C(C)C(C(C)CN)C(C)C(C)C
InChIInChI=1S/C17H37NS/c1-8-9-10-16(19-7)15(6)17(13(4)11-18)14(5)12(2)3/h12-17H,8-11,18H2,1-7H3
InChIKeyZIQUTEWIKUIZGQ-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.56
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine?
The IUPAC name of 2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine (CID 91504870) is 2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine.
What is the SMILES notation for 2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine?
The canonical SMILES for 2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine is CCCCC(SC)C(C)C(C(C)CN)C(C)C(C)C.
What is the InChIKey of 2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine?
The InChIKey is ZIQUTEWIKUIZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NS/c1-8-9-10-16(19-7)15(6)17(13(4)11-18)14(5)12(2)3/h12-17H,8-11,18H2,1-7H3.
What are the key properties of 2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine?
2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine has a molecular weight of 287.56 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(3-methylbutan-2-yl)-5-methylsulfanylnonan-1-amine is sourced from PubChem (CID 91504870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).