3-(2-methylprop-2-enoylamino)propylazanium

C7H15N2O+ — CID 7018867

IUPAC3-(2-methylprop-2-enoylamino)propylazanium
SMILESC=C(C)C(=O)NCCC[NH3+]
InChIInChI=1S/C7H14N2O/c1-6(2)7(10)9-5-3-4-8/h1,3-5,8H2,2H3,(H,9,10)/p+1
InChIKeyGUAQVFRUPZBRJQ-UHFFFAOYSA-O
MW143.21 g/mol
LogP-0.69
Rot. Bonds4

About 3-(2-methylprop-2-enoylamino)propylazanium

3-(2-methylprop-2-enoylamino)propylazanium (PubChem CID 7018867) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoylamino)propylazanium.

Molecular Properties

Compound Name3-(2-methylprop-2-enoylamino)propylazanium
PubChem CID7018867
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name3-(2-methylprop-2-enoylamino)propylazanium
SMILESC=C(C)C(=O)NCCC[NH3+]
InChIInChI=1S/C7H14N2O/c1-6(2)7(10)9-5-3-4-8/h1,3-5,8H2,2H3,(H,9,10)/p+1
InChIKeyGUAQVFRUPZBRJQ-UHFFFAOYSA-O
XLogP-0.69
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoylamino)propylazanium?
The IUPAC name of 3-(2-methylprop-2-enoylamino)propylazanium (CID 7018867) is 3-(2-methylprop-2-enoylamino)propylazanium.
What is the SMILES notation for 3-(2-methylprop-2-enoylamino)propylazanium?
The canonical SMILES for 3-(2-methylprop-2-enoylamino)propylazanium is C=C(C)C(=O)NCCC[NH3+].
What is the InChIKey of 3-(2-methylprop-2-enoylamino)propylazanium?
The InChIKey is GUAQVFRUPZBRJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O/c1-6(2)7(10)9-5-3-4-8/h1,3-5,8H2,2H3,(H,9,10)/p+1.
What are the key properties of 3-(2-methylprop-2-enoylamino)propylazanium?
3-(2-methylprop-2-enoylamino)propylazanium has a molecular weight of 143.21 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoylamino)propylazanium is sourced from PubChem (CID 7018867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).