2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine

C10H21NS — CID 64612798

IUPAC2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine
SMILESCCC(C)SCC(NC)C1CC1
InChIInChI=1S/C10H21NS/c1-4-8(2)12-7-10(11-3)9-5-6-9/h8-11H,4-7H2,1-3H3
InChIKeyRDSFJQQKPDWAKS-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds6

About 2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine

2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine (PubChem CID 64612798) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine
PubChem CID64612798
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine
SMILESCCC(C)SCC(NC)C1CC1
InChIInChI=1S/C10H21NS/c1-4-8(2)12-7-10(11-3)9-5-6-9/h8-11H,4-7H2,1-3H3
InChIKeyRDSFJQQKPDWAKS-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine
CID 64614042
1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine
CID 65132236
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine
CID 65458615
1-cyclopropyl-3-ethyl-N-methylpentan-1-amine
CID 82922957
N-methyl-1-(4-methylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135416
N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine
CID 65128562
4-[1-(methylamino)propyl]cyclohexan-1-ol
CID 116956981
N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine
CID 63912327
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79562229

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine (CID 64612798) is 2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine is CCC(C)SCC(NC)C1CC1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine?
The InChIKey is RDSFJQQKPDWAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-8(2)12-7-10(11-3)9-5-6-9/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine?
2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 64612798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).