methyl-(2-methylprop-2-enyl)-prop-2-enylazanium

C8H16N+ — CID 59821388

IUPACmethyl-(2-methylprop-2-enyl)-prop-2-enylazanium
SMILESC=CC[NH+](C)CC(=C)C
InChIInChI=1S/C8H15N/c1-5-6-9(4)7-8(2)3/h5H,1-2,6-7H2,3-4H3/p+1
InChIKeyAVOJXDWKFUXGRA-UHFFFAOYSA-O
MW126.22 g/mol
LogP0.26
Rot. Bonds4

About methyl-(2-methylprop-2-enyl)-prop-2-enylazanium

methyl-(2-methylprop-2-enyl)-prop-2-enylazanium (PubChem CID 59821388) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is methyl-(2-methylprop-2-enyl)-prop-2-enylazanium.

Molecular Properties

Compound Namemethyl-(2-methylprop-2-enyl)-prop-2-enylazanium
PubChem CID59821388
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Namemethyl-(2-methylprop-2-enyl)-prop-2-enylazanium
SMILESC=CC[NH+](C)CC(=C)C
InChIInChI=1S/C8H15N/c1-5-6-9(4)7-8(2)3/h5H,1-2,6-7H2,3-4H3/p+1
InChIKeyAVOJXDWKFUXGRA-UHFFFAOYSA-O
XLogP0.26
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-(2-methylprop-2-enyl)-prop-2-enylazanium?
The IUPAC name of methyl-(2-methylprop-2-enyl)-prop-2-enylazanium (CID 59821388) is methyl-(2-methylprop-2-enyl)-prop-2-enylazanium.
What is the SMILES notation for methyl-(2-methylprop-2-enyl)-prop-2-enylazanium?
The canonical SMILES for methyl-(2-methylprop-2-enyl)-prop-2-enylazanium is C=CC[NH+](C)CC(=C)C.
What is the InChIKey of methyl-(2-methylprop-2-enyl)-prop-2-enylazanium?
The InChIKey is AVOJXDWKFUXGRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N/c1-5-6-9(4)7-8(2)3/h5H,1-2,6-7H2,3-4H3/p+1.
What are the key properties of methyl-(2-methylprop-2-enyl)-prop-2-enylazanium?
methyl-(2-methylprop-2-enyl)-prop-2-enylazanium has a molecular weight of 126.22 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylprop-2-enyl)-prop-2-enylazanium is sourced from PubChem (CID 59821388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).