1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol

C13H23NO — CID 792893

IUPAC1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol
SMILESCCN(CC)CC#CC1(O)CCCCC1
InChIInChI=1S/C13H23NO/c1-3-14(4-2)12-8-11-13(15)9-6-5-7-10-13/h15H,3-7,9-10,12H2,1-2H3
InChIKeyKMMFTPDVDFWYMU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.03
Rot. Bonds3

About 1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol

1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol (PubChem CID 792893) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol
PubChem CID792893
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol
SMILESCCN(CC)CC#CC1(O)CCCCC1
InChIInChI=1S/C13H23NO/c1-3-14(4-2)12-8-11-13(15)9-6-5-7-10-13/h15H,3-7,9-10,12H2,1-2H3
InChIKeyKMMFTPDVDFWYMU-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol?
The IUPAC name of 1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol (CID 792893) is 1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol is CCN(CC)CC#CC1(O)CCCCC1.
What is the InChIKey of 1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol?
The InChIKey is KMMFTPDVDFWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-14(4-2)12-8-11-13(15)9-6-5-7-10-13/h15H,3-7,9-10,12H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol?
1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)prop-1-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 792893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).