methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium

C14H22N+ — CID 123328332

IUPACmethyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium
SMILESCC#CC(C)=CC/[N+](C)=C/C=C(C)CC
InChIInChI=1S/C14H22N/c1-6-8-14(4)10-12-15(5)11-9-13(3)7-2/h9-11H,7,12H2,1-5H3/q+1/b13-9?,14-10?,15-11+
InChIKeyRYWMCAIVUUFCDZ-JBCKQBJQSA-N
MW204.34 g/mol
LogP3.03
Rot. Bonds4

About methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium

methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium (PubChem CID 123328332) has the molecular formula C14H22N+ and a molecular weight of 204.34 g/mol. Its IUPAC name is methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium.

Molecular Properties

Compound Namemethyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium
PubChem CID123328332
Molecular FormulaC14H22N+
Molecular Weight204.34 g/mol
Exact Mass204.17
IUPAC Namemethyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium
SMILESCC#CC(C)=CC/[N+](C)=C/C=C(C)CC
InChIInChI=1S/C14H22N/c1-6-8-14(4)10-12-15(5)11-9-13(3)7-2/h9-11H,7,12H2,1-5H3/q+1/b13-9?,14-10?,15-11+
InChIKeyRYWMCAIVUUFCDZ-JBCKQBJQSA-N
XLogP3.03
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dimethylhepta-2,5-dienylidene(dimethyl)azanium
CID 123155771
Ethylidene-methyl-(4-methylpent-3-enyl)azanium
CID 123222677
N-[(Z)-2,4-dimethylhept-3-en-5-ynyl]prop-2-en-1-imine
CID 124196315
3-methyl-5-prop-1-ynyl-2H-azepine
CID 138509458
(Z)-N,3-dimethylpent-2-en-1-imine;ethane
CID 142001409
4-Prop-1-ynyl-2,3-dihydropyridine
CID 142478048
(E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine
CID 142944132
(E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine
CID 143466341
(Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine
CID 143889150
ethane;(E)-N-ethyl-3-methylpent-2-en-1-imine
CID 144466673
Ethane;4-prop-1-ynyl-2,3-dihydropyridine
CID 144936121
4-Ethynyl-1-methyl-2,3-dihydropyridin-1-ium
CID 10443426

Frequently Asked Questions

What is the IUPAC name of methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium?
The IUPAC name of methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium (CID 123328332) is methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium.
What is the SMILES notation for methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium?
The canonical SMILES for methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium is CC#CC(C)=CC/[N+](C)=C/C=C(C)CC.
What is the InChIKey of methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium?
The InChIKey is RYWMCAIVUUFCDZ-JBCKQBJQSA-N. The full InChI is InChI=1S/C14H22N/c1-6-8-14(4)10-12-15(5)11-9-13(3)7-2/h9-11H,7,12H2,1-5H3/q+1/b13-9?,14-10?,15-11+.
What are the key properties of methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium?
methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium has a molecular weight of 204.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methylhex-2-en-4-ynyl)-(3-methylpent-2-enylidene)azanium is sourced from PubChem (CID 123328332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).