(2-butylsulfanylcyclopentyl)methanamine

C10H21NS — CID 43615984

IUPAC(2-butylsulfanylcyclopentyl)methanamine
SMILESCCCCSC1CCCC1CN
InChIInChI=1S/C10H21NS/c1-2-3-7-12-10-6-4-5-9(10)8-11/h9-10H,2-8,11H2,1H3
InChIKeyXICNPUDJHXSNKC-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.65
Rot. Bonds5

About (2-butylsulfanylcyclopentyl)methanamine

(2-butylsulfanylcyclopentyl)methanamine (PubChem CID 43615984) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (2-butylsulfanylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2-butylsulfanylcyclopentyl)methanamine
PubChem CID43615984
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(2-butylsulfanylcyclopentyl)methanamine
SMILESCCCCSC1CCCC1CN
InChIInChI=1S/C10H21NS/c1-2-3-7-12-10-6-4-5-9(10)8-11/h9-10H,2-8,11H2,1H3
InChIKeyXICNPUDJHXSNKC-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of (2-butylsulfanylcyclopentyl)methanamine?
The IUPAC name of (2-butylsulfanylcyclopentyl)methanamine (CID 43615984) is (2-butylsulfanylcyclopentyl)methanamine.
What is the SMILES notation for (2-butylsulfanylcyclopentyl)methanamine?
The canonical SMILES for (2-butylsulfanylcyclopentyl)methanamine is CCCCSC1CCCC1CN.
What is the InChIKey of (2-butylsulfanylcyclopentyl)methanamine?
The InChIKey is XICNPUDJHXSNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-2-3-7-12-10-6-4-5-9(10)8-11/h9-10H,2-8,11H2,1H3.
What are the key properties of (2-butylsulfanylcyclopentyl)methanamine?
(2-butylsulfanylcyclopentyl)methanamine has a molecular weight of 187.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylsulfanylcyclopentyl)methanamine is sourced from PubChem (CID 43615984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).