N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine

C16H33NS — CID 65135592

IUPACN-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCCNC(CSCC(C)C)C1CCCC(CC)C1
InChIInChI=1S/C16H33NS/c1-5-14-8-7-9-15(10-14)16(17-6-2)12-18-11-13(3)4/h13-17H,5-12H2,1-4H3
InChIKeyIGJVIOLACJOQQY-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.57
Rot. Bonds8

About N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine

N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 65135592) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
PubChem CID65135592
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC NameN-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCCNC(CSCC(C)C)C1CCCC(CC)C1
InChIInChI=1S/C16H33NS/c1-5-14-8-7-9-15(10-14)16(17-6-2)12-18-11-13(3)4/h13-17H,5-12H2,1-4H3
InChIKeyIGJVIOLACJOQQY-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine (CID 65135592) is N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine is CCNC(CSCC(C)C)C1CCCC(CC)C1.
What is the InChIKey of N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is IGJVIOLACJOQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-5-14-8-7-9-15(10-14)16(17-6-2)12-18-11-13(3)4/h13-17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine?
N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 271.51 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 65135592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).