methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium

C11H20N+ — CID 123636203

IUPACmethyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium
SMILESC=[N+](C)CCC(C=CC)=C(C)C
InChIInChI=1S/C11H20N/c1-6-7-11(10(2)3)8-9-12(4)5/h6-7H,4,8-9H2,1-3,5H3/q+1
InChIKeyAENJDZLJBVQHMD-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.63
Rot. Bonds4

About methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium

methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium (PubChem CID 123636203) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium
PubChem CID123636203
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Namemethyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium
SMILESC=[N+](C)CCC(C=CC)=C(C)C
InChIInChI=1S/C11H20N/c1-6-7-11(10(2)3)8-9-12(4)5/h6-7H,4,8-9H2,1-3,5H3/q+1
InChIKeyAENJDZLJBVQHMD-UHFFFAOYSA-N
XLogP2.63
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Cyclooctatetraenyl)ethyl-trimethylazanium
CID 91292553
butyl-[(1Z,5Z)-7-fluoro-3,4-dimethylideneocta-1,5,7-trienyl]-methylideneazanium
CID 144339547
2-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine
CID 12161648
N,N-diethyl-3,7-dimethylocta-4,6-dienylamine
CID 129777622
N,N-diethyl-3,7-dimethylocta-3,5-dienylamine
CID 129777696
lithium N,N-dimethyl-2-phenylethanamine
CID 162408458
(4E)-4-fluoro-N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 143173582
1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine
CID 102083
(4E)-N,N-dimethylhepta-4,6-dien-1-amine
CID 12347288
2-Cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium
CID 12770375
N,N,5-trimethylhex-4-en-1-amine
CID 13357400
N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine
CID 15514425

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium?
The IUPAC name of methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium (CID 123636203) is methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium.
What is the SMILES notation for methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium?
The canonical SMILES for methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium is C=[N+](C)CCC(C=CC)=C(C)C.
What is the InChIKey of methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium?
The InChIKey is AENJDZLJBVQHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N/c1-6-7-11(10(2)3)8-9-12(4)5/h6-7H,4,8-9H2,1-3,5H3/q+1.
What are the key properties of methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium?
methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium has a molecular weight of 166.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium is sourced from PubChem (CID 123636203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).