methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium

C11H23N2+ — CID 123577203

IUPACmethyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium
SMILESC=[N+](C)C(C)C(C)=CNCC(C)C
InChIInChI=1S/C11H23N2/c1-9(2)7-12-8-10(3)11(4)13(5)6/h8-9,11-12H,5,7H2,1-4,6H3/q+1
InChIKeyLPGUNSRDOPQJPE-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.87
Rot. Bonds5

About methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium

methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium (PubChem CID 123577203) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium.

Molecular Properties

Compound Namemethyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium
PubChem CID123577203
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Namemethyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium
SMILESC=[N+](C)C(C)C(C)=CNCC(C)C
InChIInChI=1S/C11H23N2/c1-9(2)7-12-8-10(3)11(4)13(5)6/h8-9,11-12H,5,7H2,1-4,6H3/q+1
InChIKeyLPGUNSRDOPQJPE-UHFFFAOYSA-N
XLogP1.87
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium?
The IUPAC name of methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium (CID 123577203) is methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium.
What is the SMILES notation for methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium?
The canonical SMILES for methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium is C=[N+](C)C(C)C(C)=CNCC(C)C.
What is the InChIKey of methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium?
The InChIKey is LPGUNSRDOPQJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2/c1-9(2)7-12-8-10(3)11(4)13(5)6/h8-9,11-12H,5,7H2,1-4,6H3/q+1.
What are the key properties of methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium?
methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium has a molecular weight of 183.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium is sourced from PubChem (CID 123577203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).