N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine

C14H27NS — CID 146396041

IUPACN-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine
SMILESC=C(NCCSC(C)(C)C)C1CCC(C)C1
InChIInChI=1S/C14H27NS/c1-11-6-7-13(10-11)12(2)15-8-9-16-14(3,4)5/h11,13,15H,2,6-10H2,1,3-5H3
InChIKeyYKSYFWCDXKCOOA-UHFFFAOYSA-N
MW241.44 g/mol
LogP4.06
Rot. Bonds5

About N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine

N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine (PubChem CID 146396041) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine
PubChem CID146396041
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine
SMILESC=C(NCCSC(C)(C)C)C1CCC(C)C1
InChIInChI=1S/C14H27NS/c1-11-6-7-13(10-11)12(2)15-8-9-16-14(3,4)5/h11,13,15H,2,6-10H2,1,3-5H3
InChIKeyYKSYFWCDXKCOOA-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 54.06
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-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine (CID 146396041) is N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine is C=C(NCCSC(C)(C)C)C1CCC(C)C1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine?
The InChIKey is YKSYFWCDXKCOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-11-6-7-13(10-11)12(2)15-8-9-16-14(3,4)5/h11,13,15H,2,6-10H2,1,3-5H3.
What are the key properties of N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine?
N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine has a molecular weight of 241.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-1-(3-methylcyclopentyl)ethenamine is sourced from PubChem (CID 146396041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).