(3-amino-1-adamantyl)methanol

C11H19NO — CID 18410511

IUPAC(3-amino-1-adamantyl)methanol
SMILESNC12CC3CC(C1)CC(CO)(C3)C2
InChIInChI=1S/C11H19NO/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9,13H,1-7,12H2
InChIKeyZPHFSHWJMOHIAK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.28
Rot. Bonds1

About (3-amino-1-adamantyl)methanol

(3-amino-1-adamantyl)methanol (PubChem CID 18410511) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3-amino-1-adamantyl)methanol.

Molecular Properties

Compound Name(3-amino-1-adamantyl)methanol
PubChem CID18410511
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3-amino-1-adamantyl)methanol
SMILESNC12CC3CC(C1)CC(CO)(C3)C2
InChIInChI=1S/C11H19NO/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9,13H,1-7,12H2
InChIKeyZPHFSHWJMOHIAK-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-adamantyl)methanol?
The IUPAC name of (3-amino-1-adamantyl)methanol (CID 18410511) is (3-amino-1-adamantyl)methanol.
What is the SMILES notation for (3-amino-1-adamantyl)methanol?
The canonical SMILES for (3-amino-1-adamantyl)methanol is NC12CC3CC(C1)CC(CO)(C3)C2.
What is the InChIKey of (3-amino-1-adamantyl)methanol?
The InChIKey is ZPHFSHWJMOHIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9,13H,1-7,12H2.
What are the key properties of (3-amino-1-adamantyl)methanol?
(3-amino-1-adamantyl)methanol has a molecular weight of 181.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-adamantyl)methanol is sourced from PubChem (CID 18410511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).