N-(2-cyclohexylsulfanylethyl)pentan-3-amine

C13H27NS — CID 62580088

IUPACN-(2-cyclohexylsulfanylethyl)pentan-3-amine
SMILESCCC(CC)NCCSC1CCCCC1
InChIInChI=1S/C13H27NS/c1-3-12(4-2)14-10-11-15-13-8-6-5-7-9-13/h12-14H,3-11H2,1-2H3
InChIKeyPSJSVHSLASYPMK-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.83
Rot. Bonds7

About N-(2-cyclohexylsulfanylethyl)pentan-3-amine

N-(2-cyclohexylsulfanylethyl)pentan-3-amine (PubChem CID 62580088) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)pentan-3-amine
PubChem CID62580088
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-(2-cyclohexylsulfanylethyl)pentan-3-amine
SMILESCCC(CC)NCCSC1CCCCC1
InChIInChI=1S/C13H27NS/c1-3-12(4-2)14-10-11-15-13-8-6-5-7-9-13/h12-14H,3-11H2,1-2H3
InChIKeyPSJSVHSLASYPMK-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.83
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-cyclopentylsulfanylethyl)pentan-2-amine
CID 63115660
2-cyclohexylsulfanyl-N-methylethanamine
CID 46741497
2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine
CID 63115703
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616
1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine
CID 65144446
nonylsulfanylcyclohexane
CID 14783593
octadecylsulfanylcyclohexane
CID 19905552
N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine
CID 63115390
octylsulfanylcycloheptane
CID 70441156
4-cyclohexylsulfanyl-2-(ethylamino)butanenitrile
CID 63054263
propylsulfanylcyclopentane
CID 534899
butylsulfanylcycloheptane
CID 14970942

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)pentan-3-amine?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)pentan-3-amine (CID 62580088) is N-(2-cyclohexylsulfanylethyl)pentan-3-amine.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)pentan-3-amine?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)pentan-3-amine is CCC(CC)NCCSC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)pentan-3-amine?
The InChIKey is PSJSVHSLASYPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-3-12(4-2)14-10-11-15-13-8-6-5-7-9-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(2-cyclohexylsulfanylethyl)pentan-3-amine?
N-(2-cyclohexylsulfanylethyl)pentan-3-amine has a molecular weight of 229.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)pentan-3-amine is sourced from PubChem (CID 62580088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).