N-(2-cyclopentylsulfanylethyl)cyclopropanamine

C10H19NS — CID 63115389

IUPACN-(2-cyclopentylsulfanylethyl)cyclopropanamine
SMILESC1CCC(SCCNC2CC2)C1
InChIInChI=1S/C10H19NS/c1-2-4-10(3-1)12-8-7-11-9-5-6-9/h9-11H,1-8H2
InChIKeyLQFYZEUAWBKLOC-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.41
Rot. Bonds5

About N-(2-cyclopentylsulfanylethyl)cyclopropanamine

N-(2-cyclopentylsulfanylethyl)cyclopropanamine (PubChem CID 63115389) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)cyclopropanamine
PubChem CID63115389
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-(2-cyclopentylsulfanylethyl)cyclopropanamine
SMILESC1CCC(SCCNC2CC2)C1
InChIInChI=1S/C10H19NS/c1-2-4-10(3-1)12-8-7-11-9-5-6-9/h9-11H,1-8H2
InChIKeyLQFYZEUAWBKLOC-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.41
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

2-cyclohexylsulfanyl-N-methylethanamine
CID 46741497
N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine
CID 63115390
N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
CID 84660689
N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 63115831
2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine
CID 63115703
N-(2-hydroxysulfanylethyl)cyclohexanamine
CID 151667244
3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628845
N-(2-cyclohexylsulfanylethyl)pentan-3-amine
CID 62580088
N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide
CID 94101555
propylsulfanylcyclopentane
CID 534899
2-cyclopentylsulfanylethanamine
CID 23401603
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)cyclopropanamine?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)cyclopropanamine (CID 63115389) is N-(2-cyclopentylsulfanylethyl)cyclopropanamine.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)cyclopropanamine?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)cyclopropanamine is C1CCC(SCCNC2CC2)C1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)cyclopropanamine?
The InChIKey is LQFYZEUAWBKLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-4-10(3-1)12-8-7-11-9-5-6-9/h9-11H,1-8H2.
What are the key properties of N-(2-cyclopentylsulfanylethyl)cyclopropanamine?
N-(2-cyclopentylsulfanylethyl)cyclopropanamine has a molecular weight of 185.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)cyclopropanamine is sourced from PubChem (CID 63115389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).