N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine

C10H23NS — CID 134275558

IUPACN,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine
SMILESCCC(C)(C)SCCCN(C)C
InChIInChI=1S/C10H23NS/c1-6-10(2,3)12-9-7-8-11(4)5/h6-9H2,1-5H3
InChIKeyJUCQNHMYLZLUBE-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.86
Rot. Bonds6

About N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine

N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine (PubChem CID 134275558) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine
PubChem CID134275558
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine
SMILESCCC(C)(C)SCCCN(C)C
InChIInChI=1S/C10H23NS/c1-6-10(2,3)12-9-7-8-11(4)5/h6-9H2,1-5H3
InChIKeyJUCQNHMYLZLUBE-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine (CID 134275558) is N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine is CCC(C)(C)SCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine?
The InChIKey is JUCQNHMYLZLUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-6-10(2,3)12-9-7-8-11(4)5/h6-9H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine?
N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylbutan-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 134275558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).