methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium

C11H22N+ — CID 123319995

IUPACmethyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium
SMILESC=C(C)C[N+](C)(C=CC)CCC
InChIInChI=1S/C11H22N/c1-6-8-12(5,9-7-2)10-11(3)4/h6,8H,3,7,9-10H2,1-2,4-5H3/q+1
InChIKeyOCORFUQTPABGNJ-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.95
Rot. Bonds5

About methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium

methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium (PubChem CID 123319995) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium.

Molecular Properties

Compound Namemethyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium
PubChem CID123319995
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Namemethyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium
SMILESC=C(C)C[N+](C)(C=CC)CCC
InChIInChI=1S/C11H22N/c1-6-8-12(5,9-7-2)10-11(3)4/h6,8H,3,7,9-10H2,1-2,4-5H3/q+1
InChIKeyOCORFUQTPABGNJ-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium?
The IUPAC name of methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium (CID 123319995) is methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium.
What is the SMILES notation for methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium?
The canonical SMILES for methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium is C=C(C)C[N+](C)(C=CC)CCC.
What is the InChIKey of methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium?
The InChIKey is OCORFUQTPABGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N/c1-6-8-12(5,9-7-2)10-11(3)4/h6,8H,3,7,9-10H2,1-2,4-5H3/q+1.
What are the key properties of methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium?
methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium has a molecular weight of 168.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylprop-2-enyl)-prop-1-enyl-propylazanium is sourced from PubChem (CID 123319995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).