1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride

C15H28ClNO — CID 3041022

IUPAC1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride
SMILESCCN(CC)CCCC#CC1(O)CCCCC1.Cl
InChIInChI=1S/C15H27NO.ClH/c1-3-16(4-2)14-10-6-9-13-15(17)11-7-5-8-12-15;/h17H,3-8,10-12,14H2,1-2H3;1H
InChIKeyHAFBJVKKJHPCIM-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.23
Rot. Bonds5

About 1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride

1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride (PubChem CID 3041022) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is 1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride
PubChem CID3041022
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC Name1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride
SMILESCCN(CC)CCCC#CC1(O)CCCCC1.Cl
InChIInChI=1S/C15H27NO.ClH/c1-3-16(4-2)14-10-6-9-13-15(17)11-7-5-8-12-15;/h17H,3-8,10-12,14H2,1-2H3;1H
InChIKeyHAFBJVKKJHPCIM-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride (CID 3041022) is 1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride is CCN(CC)CCCC#CC1(O)CCCCC1.Cl.
What is the InChIKey of 1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is HAFBJVKKJHPCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO.ClH/c1-3-16(4-2)14-10-6-9-13-15(17)11-7-5-8-12-15;/h17H,3-8,10-12,14H2,1-2H3;1H.
What are the key properties of 1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride?
1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 273.85 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pent-1-ynyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 3041022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).