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

C10H23NS — CID 155445775

IUPACN,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine
SMILESCC(CN(C)C)SC(C)C(C)C
InChIInChI=1S/C10H23NS/c1-8(2)10(4)12-9(3)7-11(5)6/h8-10H,7H2,1-6H3
InChIKeyQRKSHVVOEQJKKB-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.71
Rot. Bonds5

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

N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine (PubChem CID 155445775) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine
PubChem CID155445775
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine
SMILESCC(CN(C)C)SC(C)C(C)C
InChIInChI=1S/C10H23NS/c1-8(2)10(4)12-9(3)7-11(5)6/h8-10H,7H2,1-6H3
InChIKeyQRKSHVVOEQJKKB-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine (CID 155445775) is N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine is CC(CN(C)C)SC(C)C(C)C.
What is the InChIKey of N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine?
The InChIKey is QRKSHVVOEQJKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-8(2)10(4)12-9(3)7-11(5)6/h8-10H,7H2,1-6H3.
What are the key properties of N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine?
N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylbutan-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 155445775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).