methyl (NZ)-N'-methyl-N-propylidenecarbamimidate

C6H12N2O — CID 143250987

IUPACmethyl (NZ)-N'-methyl-N-propylidenecarbamimidate
SMILESCC/C=N\C(=N\C)OC
InChIInChI=1S/C6H12N2O/c1-4-5-8-6(7-2)9-3/h5H,4H2,1-3H3/b7-6-,8-5-
InChIKeyIBXAGLZBBTVHNK-HSHIGALWSA-N
MW128.17 g/mol
LogP1.10
Rot. Bonds1

About methyl (NZ)-N'-methyl-N-propylidenecarbamimidate

methyl (NZ)-N'-methyl-N-propylidenecarbamimidate (PubChem CID 143250987) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is methyl (NZ)-N'-methyl-N-propylidenecarbamimidate.

Molecular Properties

Compound Namemethyl (NZ)-N'-methyl-N-propylidenecarbamimidate
PubChem CID143250987
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Namemethyl (NZ)-N'-methyl-N-propylidenecarbamimidate
SMILESCC/C=N\C(=N\C)OC
InChIInChI=1S/C6H12N2O/c1-4-5-8-6(7-2)9-3/h5H,4H2,1-3H3/b7-6-,8-5-
InChIKeyIBXAGLZBBTVHNK-HSHIGALWSA-N
XLogP1.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 methyl (NZ)-N'-methyl-N-propylidenecarbamimidate?
The IUPAC name of methyl (NZ)-N'-methyl-N-propylidenecarbamimidate (CID 143250987) is methyl (NZ)-N'-methyl-N-propylidenecarbamimidate.
What is the SMILES notation for methyl (NZ)-N'-methyl-N-propylidenecarbamimidate?
The canonical SMILES for methyl (NZ)-N'-methyl-N-propylidenecarbamimidate is CC/C=N\C(=N\C)OC.
What is the InChIKey of methyl (NZ)-N'-methyl-N-propylidenecarbamimidate?
The InChIKey is IBXAGLZBBTVHNK-HSHIGALWSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5-8-6(7-2)9-3/h5H,4H2,1-3H3/b7-6-,8-5-.
What are the key properties of methyl (NZ)-N'-methyl-N-propylidenecarbamimidate?
methyl (NZ)-N'-methyl-N-propylidenecarbamimidate has a molecular weight of 128.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NZ)-N'-methyl-N-propylidenecarbamimidate is sourced from PubChem (CID 143250987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).