2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine

C12H25NS — CID 104668516

IUPAC2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCCSCCNCC1CCC(C)CC1
InChIInChI=1S/C12H25NS/c1-3-14-9-8-13-10-12-6-4-11(2)5-7-12/h11-13H,3-10H2,1-2H3
InChIKeyOWBUPHDEQNOQFJ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.16
Rot. Bonds6

About 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine

2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 104668516) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID104668516
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCCSCCNCC1CCC(C)CC1
InChIInChI=1S/C12H25NS/c1-3-14-9-8-13-10-12-6-4-11(2)5-7-12/h11-13H,3-10H2,1-2H3
InChIKeyOWBUPHDEQNOQFJ-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-2-ethylsulfanylethanamine
CID 62578386
3-[(2-ethylsulfanylethylamino)methyl]cyclopentan-1-ol
CID 103275833
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 115868513
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine
CID 115908421
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
CID 62579243
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 123988993

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 104668516) is 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine is CCSCCNCC1CCC(C)CC1.
What is the InChIKey of 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is OWBUPHDEQNOQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-3-14-9-8-13-10-12-6-4-11(2)5-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine?
2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 215.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104668516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).