(2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine

C14H27NS — CID 63115462

IUPAC(2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CN)C(SC2CCCC2)C1
InChIInChI=1S/C14H27NS/c1-2-11-7-8-12(10-15)14(9-11)16-13-5-3-4-6-13/h11-14H,2-10,15H2,1H3
InChIKeyPOCNDIKCJYHIRO-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.82
Rot. Bonds4

About (2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine

(2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine (PubChem CID 63115462) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is (2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine
PubChem CID63115462
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name(2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CN)C(SC2CCCC2)C1
InChIInChI=1S/C14H27NS/c1-2-11-7-8-12(10-15)14(9-11)16-13-5-3-4-6-13/h11-14H,2-10,15H2,1H3
InChIKeyPOCNDIKCJYHIRO-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine?
The IUPAC name of (2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine (CID 63115462) is (2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine.
What is the SMILES notation for (2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine?
The canonical SMILES for (2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine is CCC1CCC(CN)C(SC2CCCC2)C1.
What is the InChIKey of (2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine?
The InChIKey is POCNDIKCJYHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-2-11-7-8-12(10-15)14(9-11)16-13-5-3-4-6-13/h11-14H,2-10,15H2,1H3.
What are the key properties of (2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine?
(2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine has a molecular weight of 241.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylsulfanyl-4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 63115462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).