N-methoxyadamantan-2-amine

C11H19NO — CID 15552593

IUPACN-methoxyadamantan-2-amine
SMILESCONC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H19NO/c1-13-12-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-12H,2-6H2,1H3
InChIKeyVPHGBHDIOHEHHX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.96
Rot. Bonds2

About N-methoxyadamantan-2-amine

N-methoxyadamantan-2-amine (PubChem CID 15552593) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methoxyadamantan-2-amine.

Molecular Properties

Compound NameN-methoxyadamantan-2-amine
PubChem CID15552593
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-methoxyadamantan-2-amine
SMILESCONC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H19NO/c1-13-12-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-12H,2-6H2,1H3
InChIKeyVPHGBHDIOHEHHX-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Aminoadamantane
CID 25332
N-(2-adamantyl)hydroxylamine
CID 12538405
2-Adamantylazanium
CID 7058059
N-(2-adamantyl)hydroxylamine;hydrochloride
CID 12538407
N-(2,2,2-trifluoroethoxy)adamantan-2-amine
CID 82710674
2-Adamantylazanide;carbanide;titanium(3+)
CID 17931644
CID 58137361
CID 58137361
2-Adamantylazanium hydroxide
CID 66728778
(2-Adamantylamino) acetate
CID 88394252
Adamantan-2-amine;hydrate
CID 139485134
(1S)-4-ethyl-N-methoxy-2-methylcyclohexan-1-amine
CID 155015714
N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine
CID 155348980

Frequently Asked Questions

What is the IUPAC name of N-methoxyadamantan-2-amine?
The IUPAC name of N-methoxyadamantan-2-amine (CID 15552593) is N-methoxyadamantan-2-amine.
What is the SMILES notation for N-methoxyadamantan-2-amine?
The canonical SMILES for N-methoxyadamantan-2-amine is CONC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-methoxyadamantan-2-amine?
The InChIKey is VPHGBHDIOHEHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-13-12-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-12H,2-6H2,1H3.
What are the key properties of N-methoxyadamantan-2-amine?
N-methoxyadamantan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyadamantan-2-amine is sourced from PubChem (CID 15552593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).