1-(propan-2-ylideneamino)ethanamine

C5H12N2 — CID 123916660

IUPAC1-(propan-2-ylideneamino)ethanamine
SMILESCC(C)=NC(C)N
InChIInChI=1S/C5H12N2/c1-4(2)7-5(3)6/h5H,6H2,1-3H3
InChIKeyHVMIATADJSMZDU-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.77
Rot. Bonds1

About 1-(propan-2-ylideneamino)ethanamine

1-(propan-2-ylideneamino)ethanamine (PubChem CID 123916660) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 1-(propan-2-ylideneamino)ethanamine.

Molecular Properties

Compound Name1-(propan-2-ylideneamino)ethanamine
PubChem CID123916660
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name1-(propan-2-ylideneamino)ethanamine
SMILESCC(C)=NC(C)N
InChIInChI=1S/C5H12N2/c1-4(2)7-5(3)6/h5H,6H2,1-3H3
InChIKeyHVMIATADJSMZDU-UHFFFAOYSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.77
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 1-(propan-2-ylideneamino)ethanamine?
The IUPAC name of 1-(propan-2-ylideneamino)ethanamine (CID 123916660) is 1-(propan-2-ylideneamino)ethanamine.
What is the SMILES notation for 1-(propan-2-ylideneamino)ethanamine?
The canonical SMILES for 1-(propan-2-ylideneamino)ethanamine is CC(C)=NC(C)N.
What is the InChIKey of 1-(propan-2-ylideneamino)ethanamine?
The InChIKey is HVMIATADJSMZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4(2)7-5(3)6/h5H,6H2,1-3H3.
What are the key properties of 1-(propan-2-ylideneamino)ethanamine?
1-(propan-2-ylideneamino)ethanamine has a molecular weight of 100.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylideneamino)ethanamine is sourced from PubChem (CID 123916660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).