methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium

C15H28N+ — CID 123601281

IUPACmethyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium
SMILESC=[N+](C)C(CC)CC(C)(C=CC)C=CCC
InChIInChI=1S/C15H28N/c1-7-10-12-15(4,11-8-2)13-14(9-3)16(5)6/h8,10-12,14H,5,7,9,13H2,1-4,6H3/q+1
InChIKeyLCMYANJPPUZJFN-UHFFFAOYSA-N
MW222.40 g/mol
LogP4.05
Rot. Bonds7

About methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium

methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium (PubChem CID 123601281) has the molecular formula C15H28N+ and a molecular weight of 222.40 g/mol. Its IUPAC name is methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium
PubChem CID123601281
Molecular FormulaC15H28N+
Molecular Weight222.40 g/mol
Exact Mass222.22
IUPAC Namemethyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium
SMILESC=[N+](C)C(CC)CC(C)(C=CC)C=CCC
InChIInChI=1S/C15H28N/c1-7-10-12-15(4,11-8-2)13-14(9-3)16(5)6/h8,10-12,14H,5,7,9,13H2,1-4,6H3/q+1
InChIKeyLCMYANJPPUZJFN-UHFFFAOYSA-N
XLogP4.05
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Cyclohept-4-en-1-yl-methyl-methylideneazanium
CID 91414804
Methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium
CID 123990675
(3Z)-3-ethylidene-N,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 155208566
(Z)-N,N,2,5-tetramethyloct-6-en-4-amine
CID 155260746
(Z,2R)-N,N,3,3-tetramethylhept-5-en-2-amine
CID 163763125
(Z)-N,N,3,8-tetramethyldec-6-en-4-amine
CID 166676044
(E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine
CID 166767021
(Z)-N,8,8-trimethyl-N-propan-2-ylnon-3-en-1-amine
CID 167068493
2-(2,2-dimethylpropyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 171834248
2-Tert-butyl-1-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 176747850
2-Tert-butyl-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 176747913

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium?
The IUPAC name of methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium (CID 123601281) is methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium.
What is the SMILES notation for methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium?
The canonical SMILES for methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium is C=[N+](C)C(CC)CC(C)(C=CC)C=CCC.
What is the InChIKey of methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium?
The InChIKey is LCMYANJPPUZJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N/c1-7-10-12-15(4,11-8-2)13-14(9-3)16(5)6/h8,10-12,14H,5,7,9,13H2,1-4,6H3/q+1.
What are the key properties of methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium?
methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium has a molecular weight of 222.40 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium is sourced from PubChem (CID 123601281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).