N-[(ethylideneamino)methyl]ethanamine

C5H12N2 — CID 163848627

IUPACN-[(ethylideneamino)methyl]ethanamine
SMILESCC=NCNCC
InChIInChI=1S/C5H12N2/c1-3-6-5-7-4-2/h3,7H,4-5H2,1-2H3
InChIKeyOSJSMAORCVPHKK-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.64
Rot. Bonds3

About N-[(ethylideneamino)methyl]ethanamine

N-[(ethylideneamino)methyl]ethanamine (PubChem CID 163848627) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-[(ethylideneamino)methyl]ethanamine.

Molecular Properties

Compound NameN-[(ethylideneamino)methyl]ethanamine
PubChem CID163848627
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-[(ethylideneamino)methyl]ethanamine
SMILESCC=NCNCC
InChIInChI=1S/C5H12N2/c1-3-6-5-7-4-2/h3,7H,4-5H2,1-2H3
InChIKeyOSJSMAORCVPHKK-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(ethylideneamino)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

CID 14151220
CID 14151220
CID 15142293
CID 15142293
CID 17871517
CID 17871517
CID 19845229
CID 19845229
CID 143712899
CID 143712899
CID 18504978
CID 18504978
CID 18715986
CID 18715986
CID 20502897
CID 20502897
CID 21189853
CID 21189853
CID 21693430
CID 21693430
CID 23392083
CID 23392083
CID 54033446
CID 54033446

Frequently Asked Questions

What is the IUPAC name of N-[(ethylideneamino)methyl]ethanamine?
The IUPAC name of N-[(ethylideneamino)methyl]ethanamine (CID 163848627) is N-[(ethylideneamino)methyl]ethanamine.
What is the SMILES notation for N-[(ethylideneamino)methyl]ethanamine?
The canonical SMILES for N-[(ethylideneamino)methyl]ethanamine is CC=NCNCC.
What is the InChIKey of N-[(ethylideneamino)methyl]ethanamine?
The InChIKey is OSJSMAORCVPHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-6-5-7-4-2/h3,7H,4-5H2,1-2H3.
What are the key properties of N-[(ethylideneamino)methyl]ethanamine?
N-[(ethylideneamino)methyl]ethanamine has a molecular weight of 100.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(ethylideneamino)methyl]ethanamine is sourced from PubChem (CID 163848627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).