4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol

C13H27NO2 — CID 65118737

IUPAC4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCCCCO)CC1
InChIInChI=1S/C13H27NO2/c1-2-12-5-7-13(16,8-6-12)11-14-9-3-4-10-15/h12,14-16H,2-11H2,1H3
InChIKeyHCWQUSKOKWHGKL-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.68
Rot. Bonds7

About 4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol

4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol (PubChem CID 65118737) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol
PubChem CID65118737
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCCCCO)CC1
InChIInChI=1S/C13H27NO2/c1-2-12-5-7-13(16,8-6-12)11-14-9-3-4-10-15/h12,14-16H,2-11H2,1H3
InChIKeyHCWQUSKOKWHGKL-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
CID 103179102
ethyl 4-hydroxy-4-[(6-hydroxyhexylamino)methyl]cyclohexane-1-carboxylate
CID 107853714
4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 65115854
1-[(5-hydroxypentylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120868
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 65123888
1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol
CID 81094795

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol (CID 65118737) is 4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol is CCC1CCC(O)(CNCCCCO)CC1.
What is the InChIKey of 4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol?
The InChIKey is HCWQUSKOKWHGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-12-5-7-13(16,8-6-12)11-14-9-3-4-10-15/h12,14-16H,2-11H2,1H3.
What are the key properties of 4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol?
4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).