1-(ethylideneamino)propan-2-ylazanium

C5H13N2+ — CID 59074127

IUPAC1-(ethylideneamino)propan-2-ylazanium
SMILESC/C=N/CC(C)[NH3+]
InChIInChI=1S/C5H12N2/c1-3-7-4-5(2)6/h3,5H,4,6H2,1-2H3/p+1/b7-3+
InChIKeyVGNMHBFPIJFMMF-XVNBXDOJSA-O
MW101.17 g/mol
LogP-0.29
Rot. Bonds2

About 1-(ethylideneamino)propan-2-ylazanium

1-(ethylideneamino)propan-2-ylazanium (PubChem CID 59074127) has the molecular formula C5H13N2+ and a molecular weight of 101.17 g/mol. Its IUPAC name is 1-(ethylideneamino)propan-2-ylazanium.

Molecular Properties

Compound Name1-(ethylideneamino)propan-2-ylazanium
PubChem CID59074127
Molecular FormulaC5H13N2+
Molecular Weight101.17 g/mol
Exact Mass101.11
IUPAC Name1-(ethylideneamino)propan-2-ylazanium
SMILESC/C=N/CC(C)[NH3+]
InChIInChI=1S/C5H12N2/c1-3-7-4-5(2)6/h3,5H,4,6H2,1-2H3/p+1/b7-3+
InChIKeyVGNMHBFPIJFMMF-XVNBXDOJSA-O
XLogP-0.29
TPSA40.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(ethylideneamino)propan-2-ylazanium?
The IUPAC name of 1-(ethylideneamino)propan-2-ylazanium (CID 59074127) is 1-(ethylideneamino)propan-2-ylazanium.
What is the SMILES notation for 1-(ethylideneamino)propan-2-ylazanium?
The canonical SMILES for 1-(ethylideneamino)propan-2-ylazanium is C/C=N/CC(C)[NH3+].
What is the InChIKey of 1-(ethylideneamino)propan-2-ylazanium?
The InChIKey is VGNMHBFPIJFMMF-XVNBXDOJSA-O. The full InChI is InChI=1S/C5H12N2/c1-3-7-4-5(2)6/h3,5H,4,6H2,1-2H3/p+1/b7-3+.
What are the key properties of 1-(ethylideneamino)propan-2-ylazanium?
1-(ethylideneamino)propan-2-ylazanium has a molecular weight of 101.17 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylideneamino)propan-2-ylazanium is sourced from PubChem (CID 59074127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).