1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol

C12H25NOS — CID 116505141

IUPAC1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol
SMILESCCSCCC(O)C1(CN)CCCCC1
InChIInChI=1S/C12H25NOS/c1-2-15-9-6-11(14)12(10-13)7-4-3-5-8-12/h11,14H,2-10,13H2,1H3
InChIKeyJULLEJZMAJADQO-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.40
Rot. Bonds6

About 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol

1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol (PubChem CID 116505141) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol
PubChem CID116505141
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol
SMILESCCSCCC(O)C1(CN)CCCCC1
InChIInChI=1S/C12H25NOS/c1-2-15-9-6-11(14)12(10-13)7-4-3-5-8-12/h11,14H,2-10,13H2,1H3
InChIKeyJULLEJZMAJADQO-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol 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

1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol
CID 79138497
1-[1-(aminomethyl)cycloheptyl]-2-methylpropan-1-ol
CID 79138126
1-[1-(aminomethyl)cyclopentyl]-2-methylpentan-1-ol
CID 79138410
1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol
CID 165447050
1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol
CID 79138486
1-[1-(aminomethyl)-4-methylcyclohexyl]-4-methylsulfanylbutan-1-ol
CID 103090561
1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol
CID 79137820
2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde
CID 79123517
1-amino-N-(4-ethylsulfanylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119327797
1-(3-ethylsulfanyl-1-hydroxypropyl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 116505112
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774
1-[1-(aminomethyl)cyclopentyl]-2,2-dimethoxyethanol
CID 79123314

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol (CID 116505141) is 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol is CCSCCC(O)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol?
The InChIKey is JULLEJZMAJADQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-2-15-9-6-11(14)12(10-13)7-4-3-5-8-12/h11,14H,2-10,13H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol?
1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol is sourced from PubChem (CID 116505141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).