3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine

C11H23NS — CID 64905748

IUPAC3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine
SMILESCCCCSC1CCC(NC)C1C
InChIInChI=1S/C11H23NS/c1-4-5-8-13-11-7-6-10(12-3)9(11)2/h9-12H,4-8H2,1-3H3
InChIKeyQFEGWNUBECNIMG-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds5

About 3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine

3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine (PubChem CID 64905748) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine
PubChem CID64905748
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine
SMILESCCCCSC1CCC(NC)C1C
InChIInChI=1S/C11H23NS/c1-4-5-8-13-11-7-6-10(12-3)9(11)2/h9-12H,4-8H2,1-3H3
InChIKeyQFEGWNUBECNIMG-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-3-(2-methylsulfonylethylsulfanyl)cyclopentan-1-amine
CID 64905743
N,2-dimethyl-3-methylsulfanylcyclopentan-1-amine
CID 64906996
3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine
CID 64906331
2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol
CID 66104792
2-methyl-3-propylsulfanylcyclopentan-1-amine
CID 64905956
N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine
CID 107762877
3-[2-(methylamino)cyclooctyl]sulfanylpropan-1-ol
CID 66127306
3-[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropan-1-ol
CID 66126855
N,2-dimethyl-3-pentan-2-ylcyclopentan-1-amine
CID 107888213
N,2-dimethyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116627267
5-butylsulfanyl-2-ethyl-3-methylbicyclo[2.2.1]heptane
CID 143123666
N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine
CID 64904528

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine (CID 64905748) is 3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine is CCCCSC1CCC(NC)C1C.
What is the InChIKey of 3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine?
The InChIKey is QFEGWNUBECNIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-5-8-13-11-7-6-10(12-3)9(11)2/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine?
3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64905748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).