3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol

C12H25NOS — CID 106124601

IUPAC3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol
SMILESCSCCCCNCC1CCCC(O)C1
InChIInChI=1S/C12H25NOS/c1-15-8-3-2-7-13-10-11-5-4-6-12(14)9-11/h11-14H,2-10H2,1H3
InChIKeyOLOIYLSJAJUSDH-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.27
Rot. Bonds7

About 3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol

3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol (PubChem CID 106124601) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol
PubChem CID106124601
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol
SMILESCSCCCCNCC1CCCC(O)C1
InChIInChI=1S/C12H25NOS/c1-15-8-3-2-7-13-10-11-5-4-6-12(14)9-11/h11-14H,2-10H2,1H3
InChIKeyOLOIYLSJAJUSDH-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-hydroxycyclohexyl)methyl]-3-(4-methylsulfanylbutyl)urea
CID 111506508
3-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 103087761
[2-[(4-methylsulfanylbutylamino)methyl]cyclohexyl]methanol
CID 103088118
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
N-[(4-tert-butylcyclohexyl)methyl]-3-methylsulfanylpropan-1-amine
CID 104575105
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclohexan-1-ol
CID 106132340
3-[(2-ethylsulfanylethylamino)methyl]cyclopentan-1-ol
CID 103275833
N'-hydroxy-3-[(3-hydroxycyclohexyl)methylamino]propanimidamide
CID 106136346
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915
3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
CID 103529231
N-[(1-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 60854888

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol (CID 106124601) is 3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol is CSCCCCNCC1CCCC(O)C1.
What is the InChIKey of 3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol?
The InChIKey is OLOIYLSJAJUSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-15-8-3-2-7-13-10-11-5-4-6-12(14)9-11/h11-14H,2-10H2,1H3.
What are the key properties of 3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol?
3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylsulfanylbutylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106124601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).