2-aminohex-5-enoyl(methanidyl)azanium

C7H14N2O — CID 58668140

IUPAC2-aminohex-5-enoyl(methanidyl)azanium
SMILESC=CCCC(N)C(=O)[NH2+][CH2-]
InChIInChI=1S/C7H14N2O/c1-3-4-5-6(8)7(10)9-2/h3,6H,1-2,4-5,8-9H2
InChIKeyCJYARNJVGBMAOI-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.84
Rot. Bonds4

About 2-aminohex-5-enoyl(methanidyl)azanium

2-aminohex-5-enoyl(methanidyl)azanium (PubChem CID 58668140) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-aminohex-5-enoyl(methanidyl)azanium.

Molecular Properties

Compound Name2-aminohex-5-enoyl(methanidyl)azanium
PubChem CID58668140
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-aminohex-5-enoyl(methanidyl)azanium
SMILESC=CCCC(N)C(=O)[NH2+][CH2-]
InChIInChI=1S/C7H14N2O/c1-3-4-5-6(8)7(10)9-2/h3,6H,1-2,4-5,8-9H2
InChIKeyCJYARNJVGBMAOI-UHFFFAOYSA-N
XLogP-0.84
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminohex-5-enoyl(methanidyl)azanium?
The IUPAC name of 2-aminohex-5-enoyl(methanidyl)azanium (CID 58668140) is 2-aminohex-5-enoyl(methanidyl)azanium.
What is the SMILES notation for 2-aminohex-5-enoyl(methanidyl)azanium?
The canonical SMILES for 2-aminohex-5-enoyl(methanidyl)azanium is C=CCCC(N)C(=O)[NH2+][CH2-].
What is the InChIKey of 2-aminohex-5-enoyl(methanidyl)azanium?
The InChIKey is CJYARNJVGBMAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-5-6(8)7(10)9-2/h3,6H,1-2,4-5,8-9H2.
What are the key properties of 2-aminohex-5-enoyl(methanidyl)azanium?
2-aminohex-5-enoyl(methanidyl)azanium has a molecular weight of 142.20 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminohex-5-enoyl(methanidyl)azanium is sourced from PubChem (CID 58668140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).