4-methoxyadamantan-2-amine

C11H19NO — CID 12813518

IUPAC4-methoxyadamantan-2-amine
SMILESCOC1C2CC3CC(C2)C(N)C1C3
InChIInChI=1S/C11H19NO/c1-13-11-8-3-6-2-7(5-8)10(12)9(11)4-6/h6-11H,2-5,12H2,1H3
InChIKeyGYTNJSCJMPJTJX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.39
Rot. Bonds1

About 4-methoxyadamantan-2-amine

4-methoxyadamantan-2-amine (PubChem CID 12813518) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methoxyadamantan-2-amine.

Molecular Properties

Compound Name4-methoxyadamantan-2-amine
PubChem CID12813518
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-methoxyadamantan-2-amine
SMILESCOC1C2CC3CC(C2)C(N)C1C3
InChIInChI=1S/C11H19NO/c1-13-11-8-3-6-2-7(5-8)10(12)9(11)4-6/h6-11H,2-5,12H2,1H3
InChIKeyGYTNJSCJMPJTJX-UHFFFAOYSA-N
XLogP1.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyadamantan-2-amine?
The IUPAC name of 4-methoxyadamantan-2-amine (CID 12813518) is 4-methoxyadamantan-2-amine.
What is the SMILES notation for 4-methoxyadamantan-2-amine?
The canonical SMILES for 4-methoxyadamantan-2-amine is COC1C2CC3CC(C2)C(N)C1C3.
What is the InChIKey of 4-methoxyadamantan-2-amine?
The InChIKey is GYTNJSCJMPJTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-13-11-8-3-6-2-7(5-8)10(12)9(11)4-6/h6-11H,2-5,12H2,1H3.
What are the key properties of 4-methoxyadamantan-2-amine?
4-methoxyadamantan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyadamantan-2-amine is sourced from PubChem (CID 12813518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).