butyl (NZ)-N-[amino(methoxy)methylidene]carbamate

C7H14N2O3 — CID 19347841

IUPACbutyl (NZ)-N-[amino(methoxy)methylidene]carbamate
SMILESCCCCOC(=O)/N=C(/N)OC
InChIInChI=1S/C7H14N2O3/c1-3-4-5-12-7(10)9-6(8)11-2/h3-5H2,1-2H3,(H2,8,9,10)
InChIKeyKJLIFQZAWVCWDM-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.88
Rot. Bonds3

About butyl (NZ)-N-[amino(methoxy)methylidene]carbamate

butyl (NZ)-N-[amino(methoxy)methylidene]carbamate (PubChem CID 19347841) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is butyl (NZ)-N-[amino(methoxy)methylidene]carbamate.

Molecular Properties

Compound Namebutyl (NZ)-N-[amino(methoxy)methylidene]carbamate
PubChem CID19347841
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namebutyl (NZ)-N-[amino(methoxy)methylidene]carbamate
SMILESCCCCOC(=O)/N=C(/N)OC
InChIInChI=1S/C7H14N2O3/c1-3-4-5-12-7(10)9-6(8)11-2/h3-5H2,1-2H3,(H2,8,9,10)
InChIKeyKJLIFQZAWVCWDM-UHFFFAOYSA-N
XLogP0.88
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl (NZ)-N-[amino(methoxy)methylidene]carbamate?
The IUPAC name of butyl (NZ)-N-[amino(methoxy)methylidene]carbamate (CID 19347841) is butyl (NZ)-N-[amino(methoxy)methylidene]carbamate.
What is the SMILES notation for butyl (NZ)-N-[amino(methoxy)methylidene]carbamate?
The canonical SMILES for butyl (NZ)-N-[amino(methoxy)methylidene]carbamate is CCCCOC(=O)/N=C(/N)OC.
What is the InChIKey of butyl (NZ)-N-[amino(methoxy)methylidene]carbamate?
The InChIKey is KJLIFQZAWVCWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-4-5-12-7(10)9-6(8)11-2/h3-5H2,1-2H3,(H2,8,9,10).
What are the key properties of butyl (NZ)-N-[amino(methoxy)methylidene]carbamate?
butyl (NZ)-N-[amino(methoxy)methylidene]carbamate has a molecular weight of 174.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (NZ)-N-[amino(methoxy)methylidene]carbamate is sourced from PubChem (CID 19347841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).