N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine

C14H27NS — CID 63119889

IUPACN-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine
SMILESC1CCC(NCCSCC2CCCC2)CC1
InChIInChI=1S/C14H27NS/c1-2-8-14(9-3-1)15-10-11-16-12-13-6-4-5-7-13/h13-15H,1-12H2
InChIKeyUOICBUVKTVABHQ-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine

N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine (PubChem CID 63119889) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine
PubChem CID63119889
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine
SMILESC1CCC(NCCSCC2CCCC2)CC1
InChIInChI=1S/C14H27NS/c1-2-8-14(9-3-1)15-10-11-16-12-13-6-4-5-7-13/h13-15H,1-12H2
InChIKeyUOICBUVKTVABHQ-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine (CID 63119889) is N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine is C1CCC(NCCSCC2CCCC2)CC1.
What is the InChIKey of N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine?
The InChIKey is UOICBUVKTVABHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-2-8-14(9-3-1)15-10-11-16-12-13-6-4-5-7-13/h13-15H,1-12H2.
What are the key properties of N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine?
N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine has a molecular weight of 241.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine is sourced from PubChem (CID 63119889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).