actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate

C9H18AcN2O3 — CID 22958834

IUPACactinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate
SMILESCNC1CCCCC1NC(=O)OCO.[Ac]
InChIInChI=1S/C9H18N2O3.Ac/c1-10-7-4-2-3-5-8(7)11-9(13)14-6-12;/h7-8,10,12H,2-6H2,1H3,(H,11,13);
InChIKeyFRGFNOHUXXAGQA-UHFFFAOYSA-N
MW429.25 g/mol
LogP0.19
Rot. Bonds3

About actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate

actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate (PubChem CID 22958834) has the molecular formula C9H18AcN2O3 and a molecular weight of 429.25 g/mol. Its IUPAC name is actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nameactinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate
PubChem CID22958834
Molecular FormulaC9H18AcN2O3
Molecular Weight429.25 g/mol
Exact Mass429.16
IUPAC Nameactinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate
SMILESCNC1CCCCC1NC(=O)OCO.[Ac]
InChIInChI=1S/C9H18N2O3.Ac/c1-10-7-4-2-3-5-8(7)11-9(13)14-6-12;/h7-8,10,12H,2-6H2,1H3,(H,11,13);
InChIKeyFRGFNOHUXXAGQA-UHFFFAOYSA-N
XLogP0.19
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate?
The IUPAC name of actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate (CID 22958834) is actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate.
What is the SMILES notation for actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate?
The canonical SMILES for actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate is CNC1CCCCC1NC(=O)OCO.[Ac].
What is the InChIKey of actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate?
The InChIKey is FRGFNOHUXXAGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.Ac/c1-10-7-4-2-3-5-8(7)11-9(13)14-6-12;/h7-8,10,12H,2-6H2,1H3,(H,11,13);.
What are the key properties of actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate?
actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate has a molecular weight of 429.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;hydroxymethyl N-[2-(methylamino)cyclohexyl]carbamate is sourced from PubChem (CID 22958834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).