methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium

C13H26N+ — CID 123990675

IUPACmethyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium
SMILESC=[N+](C)C(C)C(C)(C)C(C)(C)C=CC
InChIInChI=1S/C13H26N/c1-9-10-12(3,4)13(5,6)11(2)14(7)8/h9-11H,7H2,1-6,8H3/q+1
InChIKeyXVLLAQGUQQRJRV-UHFFFAOYSA-N
MW196.36 g/mol
LogP3.35
Rot. Bonds4

About methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium

methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium (PubChem CID 123990675) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium
PubChem CID123990675
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Namemethyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium
SMILESC=[N+](C)C(C)C(C)(C)C(C)(C)C=CC
InChIInChI=1S/C13H26N/c1-9-10-12(3,4)13(5,6)11(2)14(7)8/h9-11H,7H2,1-6,8H3/q+1
InChIKeyXVLLAQGUQQRJRV-UHFFFAOYSA-N
XLogP3.35
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 53.35
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

(4-Ethyl-3,4-dimethyl-5-methylidenehept-6-en-3-yl)-methylidene-pent-3-en-2-ylazanium
CID 91150296
Methyl-methylidene-(5-methyl-5-prop-1-enylnon-6-en-3-yl)azanium
CID 123601281
(Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine
CID 155262275
(Z,2R)-N,N,3,3-tetramethylhept-5-en-2-amine
CID 163763125
(4S,5Z)-N,N,7-trimethyl-7-propan-2-ylnona-5,8-dien-4-amine
CID 163853448
N-[(E)-4-propan-2-yloct-6-en-3-yl]methanimine
CID 164079367
ethenyl-methylidene-[(E)-2,3,3,4-tetramethylhex-4-en-2-yl]azanium
CID 169991107

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium?
The IUPAC name of methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium (CID 123990675) is methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium.
What is the SMILES notation for methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium?
The canonical SMILES for methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium is C=[N+](C)C(C)C(C)(C)C(C)(C)C=CC.
What is the InChIKey of methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium?
The InChIKey is XVLLAQGUQQRJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N/c1-9-10-12(3,4)13(5,6)11(2)14(7)8/h9-11H,7H2,1-6,8H3/q+1.
What are the key properties of methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium?
methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium has a molecular weight of 196.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(3,3,4,4-tetramethylhept-5-en-2-yl)azanium is sourced from PubChem (CID 123990675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).