1-adamantyl amino carbonate

C11H17NO3 — CID 69008372

IUPAC1-adamantyl amino carbonate
SMILESNOC(=O)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17NO3/c12-15-10(13)14-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,12H2
InChIKeyUAEFTOCDRORDFN-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.98
Rot. Bonds1

About 1-adamantyl amino carbonate

1-adamantyl amino carbonate (PubChem CID 69008372) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-adamantyl amino carbonate.

Molecular Properties

Compound Name1-adamantyl amino carbonate
PubChem CID69008372
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-adamantyl amino carbonate
SMILESNOC(=O)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17NO3/c12-15-10(13)14-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,12H2
InChIKeyUAEFTOCDRORDFN-UHFFFAOYSA-N
XLogP1.98
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-adamantyl 2,2-difluoroacetate
CID 58225853
1-adamantyl 2-aminoprop-2-enoate
CID 159464561
bis(1-adamantyl) 2,4-dimethyl-3-oxopentanedioate
CID 10972269
sodium;1-adamantyl acetate;hydride
CID 174617949
bis(1-adamantyl) 3-oxopentanedioate
CID 101111352
N-(1-adamantyloxy)acetamide
CID 87737951
1-adamantyl 2-tert-butyl-4,4-dimethylpentanoate
CID 91425894
1-adamantyl but-3-ynoate
CID 21242153
1-O-(1-adamantyl) 4-O-(1-methoxyethyl) 2,3-dimethylbutanedioate
CID 54181977
1-adamantyl 1-chloropentyl carbonate
CID 134880861
1-adamantyl benzoate
CID 2753105
[(3S,5S)-4-amino-1-adamantyl] acetate
CID 124670212

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl amino carbonate?
The IUPAC name of 1-adamantyl amino carbonate (CID 69008372) is 1-adamantyl amino carbonate.
What is the SMILES notation for 1-adamantyl amino carbonate?
The canonical SMILES for 1-adamantyl amino carbonate is NOC(=O)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl amino carbonate?
The InChIKey is UAEFTOCDRORDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c12-15-10(13)14-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,12H2.
What are the key properties of 1-adamantyl amino carbonate?
1-adamantyl amino carbonate has a molecular weight of 211.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl amino carbonate is sourced from PubChem (CID 69008372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).