5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide

C14H28N2S — CID 54967192

IUPAC5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
SMILESCCC1CCC(N(C)CCCCC(N)=S)CC1
InChIInChI=1S/C14H28N2S/c1-3-12-7-9-13(10-8-12)16(2)11-5-4-6-14(15)17/h12-13H,3-11H2,1-2H3,(H2,15,17)
InChIKeyHMLKXYUBRUCRQG-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.34
Rot. Bonds7

About 5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide

5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide (PubChem CID 54967192) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide.

Molecular Properties

Compound Name5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
PubChem CID54967192
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
SMILESCCC1CCC(N(C)CCCCC(N)=S)CC1
InChIInChI=1S/C14H28N2S/c1-3-12-7-9-13(10-8-12)16(2)11-5-4-6-14(15)17/h12-13H,3-11H2,1-2H3,(H2,15,17)
InChIKeyHMLKXYUBRUCRQG-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethylcyclohexyl)-methylamino]propanethioamide
CID 61450716
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanethioamide
CID 55004464
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
CID 61449187
3-[ethyl-(4-ethylcyclohexyl)amino]propanethioamide
CID 64750245
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
CID 61448961
5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064071
N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412330
4-[butyl(cyclopropyl)amino]butanethioamide
CID 61441835
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
CID 61450909

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide?
The IUPAC name of 5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide (CID 54967192) is 5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide.
What is the SMILES notation for 5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide?
The canonical SMILES for 5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide is CCC1CCC(N(C)CCCCC(N)=S)CC1.
What is the InChIKey of 5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide?
The InChIKey is HMLKXYUBRUCRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-12-7-9-13(10-8-12)16(2)11-5-4-6-14(15)17/h12-13H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of 5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide?
5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide has a molecular weight of 256.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide is sourced from PubChem (CID 54967192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).