4-aminoadamantan-1-ol

C10H17NO — CID 2857447

IUPAC4-aminoadamantan-1-ol
SMILESNC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C10H17NO/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5,11H2
InChIKeyHMPCLMSUNVOZLH-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.88
Rot. Bonds

About 4-aminoadamantan-1-ol

4-aminoadamantan-1-ol (PubChem CID 2857447) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-aminoadamantan-1-ol.

Molecular Properties

Compound Name4-aminoadamantan-1-ol
PubChem CID2857447
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-aminoadamantan-1-ol
SMILESNC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C10H17NO/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5,11H2
InChIKeyHMPCLMSUNVOZLH-UHFFFAOYSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminoadamantan-1-ol?
The IUPAC name of 4-aminoadamantan-1-ol (CID 2857447) is 4-aminoadamantan-1-ol.
What is the SMILES notation for 4-aminoadamantan-1-ol?
The canonical SMILES for 4-aminoadamantan-1-ol is NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-aminoadamantan-1-ol?
The InChIKey is HMPCLMSUNVOZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5,11H2.
What are the key properties of 4-aminoadamantan-1-ol?
4-aminoadamantan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoadamantan-1-ol is sourced from PubChem (CID 2857447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).