Butylideneaminoeth-yleneimine

C6H12N2 — CID 129790725

IUPACN-(2-iminoethyl)butan-1-imine
SMILESCCCC=NCC=N
InChIInChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h4-5,7H,2-3,6H2,1H3
InChIKeyDINXYVQHXCOQSA-UHFFFAOYSA-N
MW112.17 g/mol
LogP0.50
Rot. Bonds4

About Butylideneaminoeth-yleneimine

Butylideneaminoeth-yleneimine (PubChem CID 129790725) has the molecular formula C6H12N2 and a molecular weight of 112.17 g/mol. Its IUPAC name is N-(2-iminoethyl)butan-1-imine.

Molecular Properties

Compound NameButylideneaminoeth-yleneimine
PubChem CID129790725
Molecular FormulaC6H12N2
Molecular Weight112.17 g/mol
Exact Mass112.10
IUPAC NameN-(2-iminoethyl)butan-1-imine
SMILESCCCC=NCC=N
InChIInChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h4-5,7H,2-3,6H2,1H3
InChIKeyDINXYVQHXCOQSA-UHFFFAOYSA-N
XLogP0.50
TPSA36.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity76

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Butylideneaminoeth-yleneimine?
The IUPAC name of Butylideneaminoeth-yleneimine (CID 129790725) is N-(2-iminoethyl)butan-1-imine.
What is the SMILES notation for Butylideneaminoeth-yleneimine?
The canonical SMILES for Butylideneaminoeth-yleneimine is CCCC=NCC=N.
What is the InChIKey of Butylideneaminoeth-yleneimine?
The InChIKey is DINXYVQHXCOQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of Butylideneaminoeth-yleneimine?
Butylideneaminoeth-yleneimine has a molecular weight of 112.17 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Butylideneaminoeth-yleneimine is sourced from PubChem (CID 129790725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).