2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine

C14H25NS — CID 63115703

IUPAC2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine
SMILESC1CCC(SCCNC(C2CC2)C2CC2)C1
InChIInChI=1S/C14H25NS/c1-2-4-13(3-1)16-10-9-15-14(11-5-6-11)12-7-8-12/h11-15H,1-10H2
InChIKeyJHAFYVOCYQCBSY-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.44
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine

2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine (PubChem CID 63115703) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine
PubChem CID63115703
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine
SMILESC1CCC(SCCNC(C2CC2)C2CC2)C1
InChIInChI=1S/C14H25NS/c1-2-4-13(3-1)16-10-9-15-14(11-5-6-11)12-7-8-12/h11-15H,1-10H2
InChIKeyJHAFYVOCYQCBSY-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.44
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-cyclohexylsulfanylethyl)pentan-3-amine
CID 62580088
2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine
CID 62577333
N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 115710731
N-(2-cyclopentylsulfanylethyl)pentan-2-amine
CID 63115660
2-cyclohexylsulfanyl-N-methylethanamine
CID 46741497
N-(2-cyclopentylsulfanylethyl)cyclopropanamine
CID 63115389
N'-(dicyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61480803
N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine
CID 63115390
N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 63115831
N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine
CID 63115886
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
CID 65412906

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine (CID 63115703) is 2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine is C1CCC(SCCNC(C2CC2)C2CC2)C1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine?
The InChIKey is JHAFYVOCYQCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-2-4-13(3-1)16-10-9-15-14(11-5-6-11)12-7-8-12/h11-15H,1-10H2.
What are the key properties of 2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine?
2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine has a molecular weight of 239.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine is sourced from PubChem (CID 63115703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).