N-(2-aminoethylideneamino)-N-methylformamide

C4H9N3O — CID 123575553

IUPACN-(2-aminoethylideneamino)-N-methylformamide
SMILESCN(C=O)N=CCN
InChIInChI=1S/C4H9N3O/c1-7(4-8)6-3-2-5/h3-4H,2,5H2,1H3
InChIKeyOHWDGMXBYRNUOS-UHFFFAOYSA-N
MW115.14 g/mol
LogP-0.98
Rot. Bonds3

About N-(2-aminoethylideneamino)-N-methylformamide

N-(2-aminoethylideneamino)-N-methylformamide (PubChem CID 123575553) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is N-(2-aminoethylideneamino)-N-methylformamide.

Molecular Properties

Compound NameN-(2-aminoethylideneamino)-N-methylformamide
PubChem CID123575553
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC NameN-(2-aminoethylideneamino)-N-methylformamide
SMILESCN(C=O)N=CCN
InChIInChI=1S/C4H9N3O/c1-7(4-8)6-3-2-5/h3-4H,2,5H2,1H3
InChIKeyOHWDGMXBYRNUOS-UHFFFAOYSA-N
XLogP-0.98
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(propylideneamino)formamide
CID 71373891
N-[(E)-butylideneamino]-N-methylformamide
CID 90474166
N-(aminomethyl)-N-methylformamide
CID 57084326
N-(3-aminoprop-1-enyl)-N-methylformamide
CID 173464969
N-amino-N-[(Z)-propylideneamino]methanamine
CID 146181001
2-aminoethanol;N,N-dimethylformamide
CID 88603613
CID 159352431
CID 159352431
2-propan-2-yliminoethanamine
CID 163684613
N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine
CID 143110172
N-(aminomethyl)-N-formylformamide
CID 158356927
N,N-dimethylformamide;dimethyl(oxo)silane
CID 159656610
N,N-dimethylformamide;molecular chlorine
CID 86751989

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethylideneamino)-N-methylformamide?
The IUPAC name of N-(2-aminoethylideneamino)-N-methylformamide (CID 123575553) is N-(2-aminoethylideneamino)-N-methylformamide.
What is the SMILES notation for N-(2-aminoethylideneamino)-N-methylformamide?
The canonical SMILES for N-(2-aminoethylideneamino)-N-methylformamide is CN(C=O)N=CCN.
What is the InChIKey of N-(2-aminoethylideneamino)-N-methylformamide?
The InChIKey is OHWDGMXBYRNUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-7(4-8)6-3-2-5/h3-4H,2,5H2,1H3.
What are the key properties of N-(2-aminoethylideneamino)-N-methylformamide?
N-(2-aminoethylideneamino)-N-methylformamide has a molecular weight of 115.14 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethylideneamino)-N-methylformamide is sourced from PubChem (CID 123575553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).