N-(propylideneamino)ethanamine

C5H12N2 — CID 23903

IUPACN-(propylideneamino)ethanamine
SMILESCCC=NNCC
InChIInChI=1S/C5H12N2/c1-3-5-7-6-4-2/h5-6H,3-4H2,1-2H3
InChIKeyNFFDVAHMQQPCMY-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.99
Rot. Bonds3

About N-(propylideneamino)ethanamine

N-(propylideneamino)ethanamine (PubChem CID 23903) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-(propylideneamino)ethanamine.

Molecular Properties

Compound NameN-(propylideneamino)ethanamine
PubChem CID23903
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-(propylideneamino)ethanamine
SMILESCCC=NNCC
InChIInChI=1S/C5H12N2/c1-3-5-7-6-4-2/h5-6H,3-4H2,1-2H3
InChIKeyNFFDVAHMQQPCMY-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(propylideneamino)ethanamine?
The IUPAC name of N-(propylideneamino)ethanamine (CID 23903) is N-(propylideneamino)ethanamine.
What is the SMILES notation for N-(propylideneamino)ethanamine?
The canonical SMILES for N-(propylideneamino)ethanamine is CCC=NNCC.
What is the InChIKey of N-(propylideneamino)ethanamine?
The InChIKey is NFFDVAHMQQPCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-5-7-6-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(propylideneamino)ethanamine?
N-(propylideneamino)ethanamine has a molecular weight of 100.16 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylideneamino)ethanamine is sourced from PubChem (CID 23903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).