(6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium

C16H32N+ — CID 123961241

IUPAC(6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium
SMILESC=[N+](C)CCCC(C)CC(CC)C(C)C=CC
InChIInChI=1S/C16H32N/c1-7-10-15(4)16(8-2)13-14(3)11-9-12-17(5)6/h7,10,14-16H,5,8-9,11-13H2,1-4,6H3/q+1
InChIKeyBDUIWNNBZSXFCG-UHFFFAOYSA-N
MW238.44 g/mol
LogP4.37
Rot. Bonds9

About (6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium

(6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium (PubChem CID 123961241) has the molecular formula C16H32N+ and a molecular weight of 238.44 g/mol. Its IUPAC name is (6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium.

Molecular Properties

Compound Name(6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium
PubChem CID123961241
Molecular FormulaC16H32N+
Molecular Weight238.44 g/mol
Exact Mass238.25
IUPAC Name(6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium
SMILESC=[N+](C)CCCC(C)CC(CC)C(C)C=CC
InChIInChI=1S/C16H32N/c1-7-10-15(4)16(8-2)13-14(3)11-9-12-17(5)6/h7,10,14-16H,5,8-9,11-13H2,1-4,6H3/q+1
InChIKeyBDUIWNNBZSXFCG-UHFFFAOYSA-N
XLogP4.37
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.44
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium?
The IUPAC name of (6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium (CID 123961241) is (6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium.
What is the SMILES notation for (6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium?
The canonical SMILES for (6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium is C=[N+](C)CCCC(C)CC(CC)C(C)C=CC.
What is the InChIKey of (6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium?
The InChIKey is BDUIWNNBZSXFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N/c1-7-10-15(4)16(8-2)13-14(3)11-9-12-17(5)6/h7,10,14-16H,5,8-9,11-13H2,1-4,6H3/q+1.
What are the key properties of (6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium?
(6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium has a molecular weight of 238.44 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-4,7-dimethyldec-8-enyl)-methyl-methylideneazanium is sourced from PubChem (CID 123961241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).