N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine

C8H19NS2 — CID 14948466

IUPACN,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine
SMILESCSCCC(CN(C)C)SC
InChIInChI=1S/C8H19NS2/c1-9(2)7-8(11-4)5-6-10-3/h8H,5-7H2,1-4H3
InChIKeyQVBDUGBNDYTGJB-UHFFFAOYSA-N
MW193.38 g/mol
LogP2.03
Rot. Bonds6

About N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine

N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine (PubChem CID 14948466) has the molecular formula C8H19NS2 and a molecular weight of 193.38 g/mol. Its IUPAC name is N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine
PubChem CID14948466
Molecular FormulaC8H19NS2
Molecular Weight193.38 g/mol
Exact Mass193.10
IUPAC NameN,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine
SMILESCSCCC(CN(C)C)SC
InChIInChI=1S/C8H19NS2/c1-9(2)7-8(11-4)5-6-10-3/h8H,5-7H2,1-4H3
InChIKeyQVBDUGBNDYTGJB-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine?
The IUPAC name of N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine (CID 14948466) is N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine?
The canonical SMILES for N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine is CSCCC(CN(C)C)SC.
What is the InChIKey of N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine?
The InChIKey is QVBDUGBNDYTGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS2/c1-9(2)7-8(11-4)5-6-10-3/h8H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine?
N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine has a molecular weight of 193.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine is sourced from PubChem (CID 14948466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).