3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine

C11H24BrNS — CID 112663720

IUPAC3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
SMILESCCC(CSC)N(C)CC(C)(C)CBr
InChIInChI=1S/C11H24BrNS/c1-6-10(7-14-5)13(4)9-11(2,3)8-12/h10H,6-9H2,1-5H3
InChIKeyFRHIHNZCSLVDMO-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.48
Rot. Bonds7

About 3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine

3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine (PubChem CID 112663720) has the molecular formula C11H24BrNS and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
PubChem CID112663720
Molecular FormulaC11H24BrNS
Molecular Weight282.29 g/mol
Exact Mass281.08
IUPAC Name3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
SMILESCCC(CSC)N(C)CC(C)(C)CBr
InChIInChI=1S/C11H24BrNS/c1-6-10(7-14-5)13(4)9-11(2,3)8-12/h10H,6-9H2,1-5H3
InChIKeyFRHIHNZCSLVDMO-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112664882
2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
CID 112665129
3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 65000340
2-ethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butanal
CID 112664539
1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropane-1,2-diamine
CID 112660985
N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 103067950
trifluoro-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106746228
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-methylsulfanylbutan-2-yl)pentane-1,3-diamine
CID 112664841
1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 112658783
N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 103071191
N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940
N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664988

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine?
The IUPAC name of 3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine (CID 112663720) is 3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine.
What is the SMILES notation for 3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine?
The canonical SMILES for 3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine is CCC(CSC)N(C)CC(C)(C)CBr.
What is the InChIKey of 3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine?
The InChIKey is FRHIHNZCSLVDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNS/c1-6-10(7-14-5)13(4)9-11(2,3)8-12/h10H,6-9H2,1-5H3.
What are the key properties of 3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine?
3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine has a molecular weight of 282.29 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine is sourced from PubChem (CID 112663720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).