4-(2-butoxyethylamino)cyclohexan-1-ol

C12H25NO2 — CID 106594457

IUPAC4-(2-butoxyethylamino)cyclohexan-1-ol
SMILESCCCCOCCNC1CCC(O)CC1
InChIInChI=1S/C12H25NO2/c1-2-3-9-15-10-8-13-11-4-6-12(14)7-5-11/h11-14H,2-10H2,1H3
InChIKeyICEMAZSPCBEDCH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.70
Rot. Bonds7

About 4-(2-butoxyethylamino)cyclohexan-1-ol

4-(2-butoxyethylamino)cyclohexan-1-ol (PubChem CID 106594457) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(2-butoxyethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-butoxyethylamino)cyclohexan-1-ol
PubChem CID106594457
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-(2-butoxyethylamino)cyclohexan-1-ol
SMILESCCCCOCCNC1CCC(O)CC1
InChIInChI=1S/C12H25NO2/c1-2-3-9-15-10-8-13-11-4-6-12(14)7-5-11/h11-14H,2-10H2,1H3
InChIKeyICEMAZSPCBEDCH-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.70
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

rac-(1R,2R)-2-((propan-2-yl)amino)cyclohexan-1-ol
CID 11030075
4-(2-Methylpropylamino)cyclohexan-1-ol
CID 8024862
2-[(Propan-2-yl)amino]cyclohexan-1-ol
CID 5213647
2-(2-Hydroxyethylamino)cyclohexan-1-ol
CID 12846902
trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol
CID 13447992
2-(Propylamino)cyclohexan-1-ol
CID 15560801
1-(Cyclohexylamino)pentan-2-ol
CID 67858729
2-methoxy-N-(1-methoxypropan-2-yl)cyclohexanamine
CID 2850085
trans-(1R,2R)-2-(butylamino)cyclohexan-1-ol
CID 13343834
trans-(1S,2S)-2-(propylamino)cyclohexan-1-ol
CID 28660473
cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol
CID 93317475
2-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclohexan-1-ol
CID 62360223

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethylamino)cyclohexan-1-ol?
The IUPAC name of 4-(2-butoxyethylamino)cyclohexan-1-ol (CID 106594457) is 4-(2-butoxyethylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-butoxyethylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-butoxyethylamino)cyclohexan-1-ol is CCCCOCCNC1CCC(O)CC1.
What is the InChIKey of 4-(2-butoxyethylamino)cyclohexan-1-ol?
The InChIKey is ICEMAZSPCBEDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-3-9-15-10-8-13-11-4-6-12(14)7-5-11/h11-14H,2-10H2,1H3.
What are the key properties of 4-(2-butoxyethylamino)cyclohexan-1-ol?
4-(2-butoxyethylamino)cyclohexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethylamino)cyclohexan-1-ol is sourced from PubChem (CID 106594457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).