(6-amino-1-oxohexan-2-yl) cyanate;methoxymethane

C9H18N2O3 — CID 145433460

IUPAC(6-amino-1-oxohexan-2-yl) cyanate;methoxymethane
SMILESCOC.N#COC(C=O)CCCCN
InChIInChI=1S/C7H12N2O2.C2H6O/c8-4-2-1-3-7(5-10)11-6-9;1-3-2/h5,7H,1-4,8H2;1-2H3
InChIKeyNKCYUHCCRAYCQD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.44
Rot. Bonds6

About (6-amino-1-oxohexan-2-yl) cyanate;methoxymethane

(6-amino-1-oxohexan-2-yl) cyanate;methoxymethane (PubChem CID 145433460) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (6-amino-1-oxohexan-2-yl) cyanate;methoxymethane.

Molecular Properties

Compound Name(6-amino-1-oxohexan-2-yl) cyanate;methoxymethane
PubChem CID145433460
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(6-amino-1-oxohexan-2-yl) cyanate;methoxymethane
SMILESCOC.N#COC(C=O)CCCCN
InChIInChI=1S/C7H12N2O2.C2H6O/c8-4-2-1-3-7(5-10)11-6-9;1-3-2/h5,7H,1-4,8H2;1-2H3
InChIKeyNKCYUHCCRAYCQD-UHFFFAOYSA-N
XLogP0.44
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-amino-1-oxohexan-2-yl) cyanate;methoxymethane?
The IUPAC name of (6-amino-1-oxohexan-2-yl) cyanate;methoxymethane (CID 145433460) is (6-amino-1-oxohexan-2-yl) cyanate;methoxymethane.
What is the SMILES notation for (6-amino-1-oxohexan-2-yl) cyanate;methoxymethane?
The canonical SMILES for (6-amino-1-oxohexan-2-yl) cyanate;methoxymethane is COC.N#COC(C=O)CCCCN.
What is the InChIKey of (6-amino-1-oxohexan-2-yl) cyanate;methoxymethane?
The InChIKey is NKCYUHCCRAYCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.C2H6O/c8-4-2-1-3-7(5-10)11-6-9;1-3-2/h5,7H,1-4,8H2;1-2H3.
What are the key properties of (6-amino-1-oxohexan-2-yl) cyanate;methoxymethane?
(6-amino-1-oxohexan-2-yl) cyanate;methoxymethane has a molecular weight of 202.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1-oxohexan-2-yl) cyanate;methoxymethane is sourced from PubChem (CID 145433460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).