2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine

C16H33NS — CID 65133118

IUPAC2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine
SMILESCCNC(CSC(C)(C)C)C1CCCCC1CC
InChIInChI=1S/C16H33NS/c1-6-13-10-8-9-11-14(13)15(17-7-2)12-18-16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyBLZXFVQNFWLMDT-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.71
Rot. Bonds6

About 2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine

2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine (PubChem CID 65133118) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine
PubChem CID65133118
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC Name2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine
SMILESCCNC(CSC(C)(C)C)C1CCCCC1CC
InChIInChI=1S/C16H33NS/c1-6-13-10-8-9-11-14(13)15(17-7-2)12-18-16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyBLZXFVQNFWLMDT-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 65132569
2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine
CID 65133043
N,2-diethyl-1-(2-ethylcyclohexyl)-2-methoxybutan-1-amine
CID 116761289
1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 63863276
1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
CID 115862666
N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine
CID 63862380
1-N,2-N,2-N-triethyl-1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diamine
CID 79058322
N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-3-ylethanamine
CID 105151151
N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-2-ylethanamine
CID 63861481
N-ethyl-1-(2-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 63861666
N-[(2-ethylcyclohexyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 115387131
N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine
CID 112690220

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine (CID 65133118) is 2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine is CCNC(CSC(C)(C)C)C1CCCCC1CC.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine?
The InChIKey is BLZXFVQNFWLMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-6-13-10-8-9-11-14(13)15(17-7-2)12-18-16(3,4)5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine?
2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine has a molecular weight of 271.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-ethyl-1-(2-ethylcyclohexyl)ethanamine is sourced from PubChem (CID 65133118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).