(6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium

C14H26N+ — CID 123320601

IUPAC(6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium
SMILESC=CC(CCC)=C(C)CCC(C)[N+](=C)C
InChIInChI=1S/C14H26N/c1-7-9-14(8-2)12(3)10-11-13(4)15(5)6/h8,13H,2,5,7,9-11H2,1,3-4,6H3/q+1
InChIKeyFBKXEKXBUFJYJX-UHFFFAOYSA-N
MW208.37 g/mol
LogP3.80
Rot. Bonds7

About (6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium

(6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium (PubChem CID 123320601) has the molecular formula C14H26N+ and a molecular weight of 208.37 g/mol. Its IUPAC name is (6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium.

Molecular Properties

Compound Name(6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium
PubChem CID123320601
Molecular FormulaC14H26N+
Molecular Weight208.37 g/mol
Exact Mass208.21
IUPAC Name(6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium
SMILESC=CC(CCC)=C(C)CCC(C)[N+](=C)C
InChIInChI=1S/C14H26N/c1-7-9-14(8-2)12(3)10-11-13(4)15(5)6/h8,13H,2,5,7,9-11H2,1,3-4,6H3/q+1
InChIKeyFBKXEKXBUFJYJX-UHFFFAOYSA-N
XLogP3.80
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 53.80
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'}

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Related Compounds

N-(2-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 12178792
1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 70022649
N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine
CID 89260091
Cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium
CID 123233405
4-Ethylidenehept-5-en-2-yl(trimethyl)azanium
CID 123609434
Methyl-methylidene-(3-propan-2-ylidenehex-4-enyl)azanium
CID 123636203
2-[(1Z)-buta-1,3-dienyl]-N,N,3-trimethylcyclopent-2-en-1-amine
CID 131995510
(3E)-N-butan-2-yl-N,3-dimethyl-6-methylidenenona-1,3-dien-5-amine
CID 134292168
4-[(Z)-but-1-enyl]-N,N-dimethyl-3-[(Z)-prop-1-enyl]cyclohex-3-en-1-amine
CID 138735982
3-[(1Z)-buta-1,3-dienyl]-N,N-dimethylcyclopent-3-en-1-amine
CID 141886482
(5Z)-N,N-dimethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-amine;ethane;ethene
CID 142048312
(2-Ethenylcyclohexen-1-yl)-methyl-methylideneazanium
CID 142868000

Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium?
The IUPAC name of (6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium (CID 123320601) is (6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium.
What is the SMILES notation for (6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium?
The canonical SMILES for (6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium is C=CC(CCC)=C(C)CCC(C)[N+](=C)C.
What is the InChIKey of (6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium?
The InChIKey is FBKXEKXBUFJYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N/c1-7-9-14(8-2)12(3)10-11-13(4)15(5)6/h8,13H,2,5,7,9-11H2,1,3-4,6H3/q+1.
What are the key properties of (6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium?
(6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium has a molecular weight of 208.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-5-methylnon-5-en-2-yl)-methyl-methylideneazanium is sourced from PubChem (CID 123320601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).