N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine

C9H21NS — CID 22975535

IUPACN-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine
SMILESCSCCC(C)N(C)C(C)C
InChIInChI=1S/C9H21NS/c1-8(2)10(4)9(3)6-7-11-5/h8-9H,6-7H2,1-5H3
InChIKeyJJRRQZVGFJNSDV-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.47
Rot. Bonds5

About N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine

N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine (PubChem CID 22975535) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine
PubChem CID22975535
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine
SMILESCSCCC(C)N(C)C(C)C
InChIInChI=1S/C9H21NS/c1-8(2)10(4)9(3)6-7-11-5/h8-9H,6-7H2,1-5H3
InChIKeyJJRRQZVGFJNSDV-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine (CID 22975535) is N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine is CSCCC(C)N(C)C(C)C.
What is the InChIKey of N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine?
The InChIKey is JJRRQZVGFJNSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-8(2)10(4)9(3)6-7-11-5/h8-9H,6-7H2,1-5H3.
What are the key properties of N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine?
N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine has a molecular weight of 175.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfanyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 22975535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).