1-adamantyl methanimidate

C11H17NO — CID 134861541

IUPAC1-adamantyl methanimidate
SMILES[H]/N=C/OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17NO/c12-7-13-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10,12H,1-6H2/b12-7+
InChIKeyQEIWCVFSIPRVOW-KPKJPENVSA-N
MW179.26 g/mol
LogP2.58
Rot. Bonds2

About 1-adamantyl methanimidate

1-adamantyl methanimidate (PubChem CID 134861541) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-adamantyl methanimidate.

Molecular Properties

Compound Name1-adamantyl methanimidate
PubChem CID134861541
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-adamantyl methanimidate
SMILES[H]/N=C/OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17NO/c12-7-13-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10,12H,1-6H2/b12-7+
InChIKeyQEIWCVFSIPRVOW-KPKJPENVSA-N
XLogP2.58
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-adamantyl methanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxyadamantane
CID 584854
1-(2-phenylethenoxy)adamantane
CID 67017511
1-bicyclo[1.1.1]pentanylmethanimine
CID 123959264
N-(1-adamantyloxy)formamide
CID 54075706
(4-oxo-1-adamantyl) formate
CID 91330974
1-[(Z)-4-phenylbut-1-enoxy]adamantane
CID 134879400
1-[(2R)-3-methylbutan-2-yl]oxyadamantane
CID 71229319
1-adamantyl ethenesulfonate
CID 20743856
[1-adamantyloxy(chloro)phosphoryl] hypochlorite
CID 174641384
1-(1-adamantyloxy)prop-2-en-1-ol
CID 126575826
2-(1-adamantyloxy)ethyl-methylazanium
CID 7321805
CID 15129445
CID 15129445

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl methanimidate?
The IUPAC name of 1-adamantyl methanimidate (CID 134861541) is 1-adamantyl methanimidate.
What is the SMILES notation for 1-adamantyl methanimidate?
The canonical SMILES for 1-adamantyl methanimidate is [H]/N=C/OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl methanimidate?
The InChIKey is QEIWCVFSIPRVOW-KPKJPENVSA-N. The full InChI is InChI=1S/C11H17NO/c12-7-13-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10,12H,1-6H2/b12-7+.
What are the key properties of 1-adamantyl methanimidate?
1-adamantyl methanimidate has a molecular weight of 179.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl methanimidate is sourced from PubChem (CID 134861541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).