5-methylhex-3-en-2-ylidene(methylidene)azanium

C8H14N+ — CID 123144784

IUPAC5-methylhex-3-en-2-ylidene(methylidene)azanium
SMILESC=[N+]=C(C)C=CC(C)C
InChIInChI=1S/C8H14N/c1-7(2)5-6-8(3)9-4/h5-7H,4H2,1-3H3/q+1
InChIKeyBACBPLRJDBHWRZ-UHFFFAOYSA-N
MW124.21 g/mol
LogP1.43
Rot. Bonds2

About 5-methylhex-3-en-2-ylidene(methylidene)azanium

5-methylhex-3-en-2-ylidene(methylidene)azanium (PubChem CID 123144784) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is 5-methylhex-3-en-2-ylidene(methylidene)azanium.

Molecular Properties

Compound Name5-methylhex-3-en-2-ylidene(methylidene)azanium
PubChem CID123144784
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Name5-methylhex-3-en-2-ylidene(methylidene)azanium
SMILESC=[N+]=C(C)C=CC(C)C
InChIInChI=1S/C8H14N/c1-7(2)5-6-8(3)9-4/h5-7H,4H2,1-3H3/q+1
InChIKeyBACBPLRJDBHWRZ-UHFFFAOYSA-N
XLogP1.43
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
N-methylpent-3-en-2-imine
CID 15325554
N-methylcyclohexa-2,5-dien-1-imine
CID 20614487
N,4-dimethylpent-3-en-2-imine
CID 20725565
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
(Z)-N-methylpent-3-en-2-imine
CID 59451924
N-tert-butylcyclohexa-2,5-dien-1-imine
CID 59775294
(Z)-N-tert-butyl-4-methylpent-2-en-1-imine
CID 59848858
(E)-N-methylpent-3-en-2-imine
CID 59927792
(Z)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 59967160
3-Pent-1-enyl-2,3-dihydropyridine
CID 60055383

Frequently Asked Questions

What is the IUPAC name of 5-methylhex-3-en-2-ylidene(methylidene)azanium?
The IUPAC name of 5-methylhex-3-en-2-ylidene(methylidene)azanium (CID 123144784) is 5-methylhex-3-en-2-ylidene(methylidene)azanium.
What is the SMILES notation for 5-methylhex-3-en-2-ylidene(methylidene)azanium?
The canonical SMILES for 5-methylhex-3-en-2-ylidene(methylidene)azanium is C=[N+]=C(C)C=CC(C)C.
What is the InChIKey of 5-methylhex-3-en-2-ylidene(methylidene)azanium?
The InChIKey is BACBPLRJDBHWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N/c1-7(2)5-6-8(3)9-4/h5-7H,4H2,1-3H3/q+1.
What are the key properties of 5-methylhex-3-en-2-ylidene(methylidene)azanium?
5-methylhex-3-en-2-ylidene(methylidene)azanium has a molecular weight of 124.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-3-en-2-ylidene(methylidene)azanium is sourced from PubChem (CID 123144784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).