(cycloheptylideneamino) adamantane-1-carboxylate

C18H27NO2 — CID 89381800

IUPAC(cycloheptylideneamino) adamantane-1-carboxylate
SMILESO=C(ON=C1CCCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NO2/c20-17(21-19-16-5-3-1-2-4-6-16)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2
InChIKeyPUHVIBRQUWPWPR-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.46
Rot. Bonds2

About (cycloheptylideneamino) adamantane-1-carboxylate

(cycloheptylideneamino) adamantane-1-carboxylate (PubChem CID 89381800) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (cycloheptylideneamino) adamantane-1-carboxylate.

Molecular Properties

Compound Name(cycloheptylideneamino) adamantane-1-carboxylate
PubChem CID89381800
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(cycloheptylideneamino) adamantane-1-carboxylate
SMILESO=C(ON=C1CCCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NO2/c20-17(21-19-16-5-3-1-2-4-6-16)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2
InChIKeyPUHVIBRQUWPWPR-UHFFFAOYSA-N
XLogP4.46
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (cycloheptylideneamino) adamantane-1-carboxylate 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

(2-oxopyrrolidin-1-yl) adamantane-1-carboxylate
CID 123232829
[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] adamantane-1-carboxylate
CID 123857460
[(E)-[amino(pyridin-4-yl)methylidene]amino] adamantane-1-carboxylate
CID 6151007
adamantane-1-carboxamide
CID 21686
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
1-adamantyl adamantane-1-carboperoxoate
CID 10969590
[4-(adamantane-1-carbonyloxy)-1,4-dimethylcyclohexyl] adamantane-1-carboxylate
CID 118563493
[(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate
CID 22895697
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide
CID 3114091
1-(adamantane-1-carbonyl)piperidin-2-one
CID 153488108
nitro adamantane-1-carboperoxoate
CID 154285824
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)adamantane-1-carboxamide
CID 140896369

Frequently Asked Questions

What is the IUPAC name of (cycloheptylideneamino) adamantane-1-carboxylate?
The IUPAC name of (cycloheptylideneamino) adamantane-1-carboxylate (CID 89381800) is (cycloheptylideneamino) adamantane-1-carboxylate.
What is the SMILES notation for (cycloheptylideneamino) adamantane-1-carboxylate?
The canonical SMILES for (cycloheptylideneamino) adamantane-1-carboxylate is O=C(ON=C1CCCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (cycloheptylideneamino) adamantane-1-carboxylate?
The InChIKey is PUHVIBRQUWPWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-17(21-19-16-5-3-1-2-4-6-16)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2.
What are the key properties of (cycloheptylideneamino) adamantane-1-carboxylate?
(cycloheptylideneamino) adamantane-1-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cycloheptylideneamino) adamantane-1-carboxylate is sourced from PubChem (CID 89381800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).