3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol

C19H29NO2 — CID 131932725

IUPAC3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol
SMILESCc1cc(CNC(C)C23CC4CC(CC(O)(C4)C2)C3)oc1C
InChIInChI=1S/C19H29NO2/c1-12-4-17(22-13(12)2)10-20-14(3)18-6-15-5-16(7-18)9-19(21,8-15)11-18/h4,14-16,20-21H,5-11H2,1-3H3
InChIKeyZVPOOSJZPKCWKQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.71
Rot. Bonds4

About 3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol

3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol (PubChem CID 131932725) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol.

Molecular Properties

Compound Name3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol
PubChem CID131932725
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol
SMILESCc1cc(CNC(C)C23CC4CC(CC(O)(C4)C2)C3)oc1C
InChIInChI=1S/C19H29NO2/c1-12-4-17(22-13(12)2)10-20-14(3)18-6-15-5-16(7-18)9-19(21,8-15)11-18/h4,14-16,20-21H,5-11H2,1-3H3
InChIKeyZVPOOSJZPKCWKQ-UHFFFAOYSA-N
XLogP3.71
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol?
The IUPAC name of 3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol (CID 131932725) is 3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol.
What is the SMILES notation for 3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol?
The canonical SMILES for 3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol is Cc1cc(CNC(C)C23CC4CC(CC(O)(C4)C2)C3)oc1C.
What is the InChIKey of 3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol?
The InChIKey is ZVPOOSJZPKCWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-12-4-17(22-13(12)2)10-20-14(3)18-6-15-5-16(7-18)9-19(21,8-15)11-18/h4,14-16,20-21H,5-11H2,1-3H3.
What are the key properties of 3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol?
3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol has a molecular weight of 303.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4,5-dimethylfuran-2-yl)methylamino]ethyl]adamantan-1-ol is sourced from PubChem (CID 131932725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).