4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol

C18H29NO2 — CID 90160742

IUPAC4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol
SMILESOC1CCC(C(O)CNCC23CC=C4C(CC4C2)C3)CC1
InChIInChI=1S/C18H29NO2/c20-15-3-1-12(2-4-15)17(21)10-19-11-18-6-5-16-13(8-18)7-14(16)9-18/h5,12-15,17,19-21H,1-4,6-11H2
InChIKeyYENNVLGJCOGTQD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.23
Rot. Bonds5

About 4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol

4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol (PubChem CID 90160742) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol
PubChem CID90160742
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol
SMILESOC1CCC(C(O)CNCC23CC=C4C(CC4C2)C3)CC1
InChIInChI=1S/C18H29NO2/c20-15-3-1-12(2-4-15)17(21)10-19-11-18-6-5-16-13(8-18)7-14(16)9-18/h5,12-15,17,19-21H,1-4,6-11H2
InChIKeyYENNVLGJCOGTQD-UHFFFAOYSA-N
XLogP2.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol (CID 90160742) is 4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol is OC1CCC(C(O)CNCC23CC=C4C(CC4C2)C3)CC1.
What is the InChIKey of 4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol?
The InChIKey is YENNVLGJCOGTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c20-15-3-1-12(2-4-15)17(21)10-19-11-18-6-5-16-13(8-18)7-14(16)9-18/h5,12-15,17,19-21H,1-4,6-11H2.
What are the key properties of 4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol?
4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(5-tricyclo[3.3.1.02,7]non-2-enylmethylamino)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 90160742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).