1-cyclohexyl-1-(ethylamino)butan-1-ol

C12H25NO — CID 174869240

IUPAC1-cyclohexyl-1-(ethylamino)butan-1-ol
SMILESCCCC(O)(NCC)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-10-12(14,13-4-2)11-8-6-5-7-9-11/h11,13-14H,3-10H2,1-2H3
InChIKeyWIZKHLKSJGSVQP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.66
Rot. Bonds5

About 1-cyclohexyl-1-(ethylamino)butan-1-ol

1-cyclohexyl-1-(ethylamino)butan-1-ol (PubChem CID 174869240) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclohexyl-1-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-(ethylamino)butan-1-ol
PubChem CID174869240
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclohexyl-1-(ethylamino)butan-1-ol
SMILESCCCC(O)(NCC)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-10-12(14,13-4-2)11-8-6-5-7-9-11/h11,13-14H,3-10H2,1-2H3
InChIKeyWIZKHLKSJGSVQP-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(ethylamino)butan-1-ol?
The IUPAC name of 1-cyclohexyl-1-(ethylamino)butan-1-ol (CID 174869240) is 1-cyclohexyl-1-(ethylamino)butan-1-ol.
What is the SMILES notation for 1-cyclohexyl-1-(ethylamino)butan-1-ol?
The canonical SMILES for 1-cyclohexyl-1-(ethylamino)butan-1-ol is CCCC(O)(NCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(ethylamino)butan-1-ol?
The InChIKey is WIZKHLKSJGSVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-10-12(14,13-4-2)11-8-6-5-7-9-11/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-(ethylamino)butan-1-ol?
1-cyclohexyl-1-(ethylamino)butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(ethylamino)butan-1-ol is sourced from PubChem (CID 174869240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).