N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide

C7H13N3O — CID 90245733

IUPACN-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide
SMILESC=N/C(C)=N/C(C)C(=O)NC
InChIInChI=1S/C7H13N3O/c1-5(7(11)9-4)10-6(2)8-3/h5H,3H2,1-2,4H3,(H,9,11)/b10-6+
InChIKeyXNJWQZVMEDTCLN-UXBLZVDNSA-N
MW155.20 g/mol
LogP0.24
Rot. Bonds2

About N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide

N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide (PubChem CID 90245733) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide
PubChem CID90245733
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide
SMILESC=N/C(C)=N/C(C)C(=O)NC
InChIInChI=1S/C7H13N3O/c1-5(7(11)9-4)10-6(2)8-3/h5H,3H2,1-2,4H3,(H,9,11)/b10-6+
InChIKeyXNJWQZVMEDTCLN-UXBLZVDNSA-N
XLogP0.24
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
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 N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide?
The IUPAC name of N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide (CID 90245733) is N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide.
What is the SMILES notation for N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide?
The canonical SMILES for N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide is C=N/C(C)=N/C(C)C(=O)NC.
What is the InChIKey of N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide?
The InChIKey is XNJWQZVMEDTCLN-UXBLZVDNSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(7(11)9-4)10-6(2)8-3/h5H,3H2,1-2,4H3,(H,9,11)/b10-6+.
What are the key properties of N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide?
N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide has a molecular weight of 155.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(methylideneamino)ethylideneamino]propanamide is sourced from PubChem (CID 90245733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).