N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine

C15H31NS — CID 113473890

IUPACN-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(CCSCC)C1
InChIInChI=1S/C15H31NS/c1-4-7-13-8-9-15(16-5-2)14(12-13)10-11-17-6-3/h13-16H,4-12H2,1-3H3
InChIKeyLXIDRAOJDIDFEM-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.32
Rot. Bonds8

About N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine

N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine (PubChem CID 113473890) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine
PubChem CID113473890
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC NameN-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(CCSCC)C1
InChIInChI=1S/C15H31NS/c1-4-7-13-8-9-15(16-5-2)14(12-13)10-11-17-6-3/h13-16H,4-12H2,1-3H3
InChIKeyLXIDRAOJDIDFEM-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.32
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

2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63401306
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410736
2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62610658
2-decyl-N,4-diethylcyclohexan-1-amine
CID 63403278
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]propan-2-ol
CID 55094762
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379507
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-propylamino]ethanol
CID 62610162
N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine
CID 63482113
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 63401618
2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 63493495

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine (CID 113473890) is N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(CCSCC)C1.
What is the InChIKey of N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine?
The InChIKey is LXIDRAOJDIDFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-4-7-13-8-9-15(16-5-2)14(12-13)10-11-17-6-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine?
N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine has a molecular weight of 257.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 113473890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).