N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine

C12H25N3 — CID 174026899

IUPACN-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine
SMILESCCC=N/C(=C\CC)N(C)CCNCC
InChIInChI=1S/C12H25N3/c1-5-8-12(14-9-6-2)15(4)11-10-13-7-3/h8-9,13H,5-7,10-11H2,1-4H3/b12-8+,14-9?
InChIKeyFQTOTQWPLCYJRM-LIJBENOPSA-N
MW211.35 g/mol
LogP2.26
Rot. Bonds8

About N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine

N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine (PubChem CID 174026899) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine
PubChem CID174026899
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine
SMILESCCC=N/C(=C\CC)N(C)CCNCC
InChIInChI=1S/C12H25N3/c1-5-8-12(14-9-6-2)15(4)11-10-13-7-3/h8-9,13H,5-7,10-11H2,1-4H3/b12-8+,14-9?
InChIKeyFQTOTQWPLCYJRM-LIJBENOPSA-N
XLogP2.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.26
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'}

Analyze N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine (CID 174026899) is N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine is CCC=N/C(=C\CC)N(C)CCNCC.
What is the InChIKey of N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine?
The InChIKey is FQTOTQWPLCYJRM-LIJBENOPSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-8-12(14-9-6-2)15(4)11-10-13-7-3/h8-9,13H,5-7,10-11H2,1-4H3/b12-8+,14-9?.
What are the key properties of N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[(Z)-1-(propylideneamino)but-1-enyl]ethane-1,2-diamine is sourced from PubChem (CID 174026899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).